####The xml with only the "IUPAC Name" elements shown.
(XML elements/nodes with XPath "/PC-Compounds/PC-Compound/PC-Compound_props/PC-InfoData/PC-InfoData_urn/PC-Urn/PC-Urn_label"
where PC-Urn_label text()
is equal to "IUPAC Name"
)
<?xml version="1.0"?>
<PC-Compounds
xmlns="http://www.ncbi.nlm.nih.gov"
xmlns:xs="http://www.w3.org/2001/XMLSchema-instance"
xs:schemaLocation="http://www.ncbi.nlm.nih.gov ftp://ftp.ncbi.nlm.nih.gov/pubchem/specifications/pubchem.xsd"
>
<PC-Compound>
<PC-Compound_props>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>IUPAC Name</PC-Urn_label>
<PC-Urn_name>Allowed</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="string">1</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>2.0.2</PC-Urn_version>
<PC-Urn_software>LexiChem</PC-Urn_software>
<PC-Urn_source>openeye.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_sval>5-[2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol</PC-InfoData_value_sval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>IUPAC Name</PC-Urn_label>
<PC-Urn_name>CAS-like Style</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="string">1</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>2.0.2</PC-Urn_version>
<PC-Urn_software>LexiChem</PC-Urn_software>
<PC-Urn_source>openeye.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_sval>5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol</PC-InfoData_value_sval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>IUPAC Name</PC-Urn_label>
<PC-Urn_name>Preferred</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="string">1</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>2.0.2</PC-Urn_version>
<PC-Urn_software>LexiChem</PC-Urn_software>
<PC-Urn_source>openeye.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_sval>5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol</PC-InfoData_value_sval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>IUPAC Name</PC-Urn_label>
<PC-Urn_name>Systematic</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="string">1</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>2.0.2</PC-Urn_version>
<PC-Urn_software>LexiChem</PC-Urn_software>
<PC-Urn_source>openeye.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_sval>5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol</PC-InfoData_value_sval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>IUPAC Name</PC-Urn_label>
<PC-Urn_name>Traditional</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="string">1</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>2.0.2</PC-Urn_version>
<PC-Urn_software>LexiChem</PC-Urn_software>
<PC-Urn_source>openeye.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_sval>5-[2-(4-hydroxyphenyl)vinyl]resorcinol</PC-InfoData_value_sval>
</PC-InfoData_value>
</PC-InfoData>
</PC-Compound_props>
</PC-Compound>
</PC-Compounds>
####The full XML for reference:
<?xml version="1.0"?>
<PC-Compounds
xmlns="http://www.ncbi.nlm.nih.gov"
xmlns:xs="http://www.w3.org/2001/XMLSchema-instance"
xs:schemaLocation="http://www.ncbi.nlm.nih.gov ftp://ftp.ncbi.nlm.nih.gov/pubchem/specifications/pubchem.xsd"
>
<PC-Compound>
<PC-Compound_id>
<PC-CompoundType>
<PC-CompoundType_id>
<PC-CompoundType_id_cid>5056</PC-CompoundType_id_cid>
</PC-CompoundType_id>
</PC-CompoundType>
</PC-Compound_id>
<PC-Compound_atoms>
<PC-Atoms>
<PC-Atoms_aid>
<PC-Atoms_aid_E>1</PC-Atoms_aid_E>
<PC-Atoms_aid_E>2</PC-Atoms_aid_E>
<PC-Atoms_aid_E>3</PC-Atoms_aid_E>
<PC-Atoms_aid_E>4</PC-Atoms_aid_E>
<PC-Atoms_aid_E>5</PC-Atoms_aid_E>
<PC-Atoms_aid_E>6</PC-Atoms_aid_E>
<PC-Atoms_aid_E>7</PC-Atoms_aid_E>
<PC-Atoms_aid_E>8</PC-Atoms_aid_E>
<PC-Atoms_aid_E>9</PC-Atoms_aid_E>
<PC-Atoms_aid_E>10</PC-Atoms_aid_E>
<PC-Atoms_aid_E>11</PC-Atoms_aid_E>
<PC-Atoms_aid_E>12</PC-Atoms_aid_E>
<PC-Atoms_aid_E>13</PC-Atoms_aid_E>
<PC-Atoms_aid_E>14</PC-Atoms_aid_E>
<PC-Atoms_aid_E>15</PC-Atoms_aid_E>
<PC-Atoms_aid_E>16</PC-Atoms_aid_E>
<PC-Atoms_aid_E>17</PC-Atoms_aid_E>
<PC-Atoms_aid_E>18</PC-Atoms_aid_E>
<PC-Atoms_aid_E>19</PC-Atoms_aid_E>
<PC-Atoms_aid_E>20</PC-Atoms_aid_E>
<PC-Atoms_aid_E>21</PC-Atoms_aid_E>
<PC-Atoms_aid_E>22</PC-Atoms_aid_E>
<PC-Atoms_aid_E>23</PC-Atoms_aid_E>
<PC-Atoms_aid_E>24</PC-Atoms_aid_E>
<PC-Atoms_aid_E>25</PC-Atoms_aid_E>
<PC-Atoms_aid_E>26</PC-Atoms_aid_E>
<PC-Atoms_aid_E>27</PC-Atoms_aid_E>
<PC-Atoms_aid_E>28</PC-Atoms_aid_E>
<PC-Atoms_aid_E>29</PC-Atoms_aid_E>
</PC-Atoms_aid>
<PC-Atoms_element>
<PC-Element value="o">8</PC-Element>
<PC-Element value="o">8</PC-Element>
<PC-Element value="o">8</PC-Element>
<PC-Element value="c">6</PC-Element>
<PC-Element value="c">6</PC-Element>
<PC-Element value="c">6</PC-Element>
<PC-Element value="c">6</PC-Element>
<PC-Element value="c">6</PC-Element>
<PC-Element value="c">6</PC-Element>
<PC-Element value="c">6</PC-Element>
<PC-Element value="c">6</PC-Element>
<PC-Element value="c">6</PC-Element>
<PC-Element value="c">6</PC-Element>
<PC-Element value="c">6</PC-Element>
<PC-Element value="c">6</PC-Element>
<PC-Element value="c">6</PC-Element>
<PC-Element value="c">6</PC-Element>
<PC-Element value="h">1</PC-Element>
<PC-Element value="h">1</PC-Element>
<PC-Element value="h">1</PC-Element>
<PC-Element value="h">1</PC-Element>
<PC-Element value="h">1</PC-Element>
<PC-Element value="h">1</PC-Element>
<PC-Element value="h">1</PC-Element>
<PC-Element value="h">1</PC-Element>
<PC-Element value="h">1</PC-Element>
<PC-Element value="h">1</PC-Element>
<PC-Element value="h">1</PC-Element>
<PC-Element value="h">1</PC-Element>
</PC-Atoms_element>
</PC-Atoms>
</PC-Compound_atoms>
<PC-Compound_bonds>
<PC-Bonds>
<PC-Bonds_aid1>
<PC-Bonds_aid1_E>1</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>1</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>2</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>2</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>3</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>3</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>4</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>4</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>4</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>5</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>5</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>5</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>6</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>6</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>7</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>8</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>8</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>9</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>9</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>10</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>11</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>12</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>12</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>13</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>13</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>14</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>15</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>15</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>16</PC-Bonds_aid1_E>
<PC-Bonds_aid1_E>16</PC-Bonds_aid1_E>
</PC-Bonds_aid1>
<PC-Bonds_aid2>
<PC-Bonds_aid2_E>10</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>27</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>11</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>28</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>17</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>29</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>6</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>8</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>9</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>7</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>12</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>13</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>7</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>18</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>19</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>11</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>20</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>10</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>21</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>14</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>14</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>15</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>22</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>16</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>23</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>24</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>17</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>25</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>17</PC-Bonds_aid2_E>
<PC-Bonds_aid2_E>26</PC-Bonds_aid2_E>
</PC-Bonds_aid2>
<PC-Bonds_order>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="double">2</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="double">2</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="double">2</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="double">2</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="double">2</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="double">2</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="double">2</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
<PC-BondType value="single">1</PC-BondType>
</PC-Bonds_order>
</PC-Bonds>
</PC-Compound_bonds>
<PC-Compound_stereo>
<PC-StereoCenter>
<PC-StereoCenter_planar>
<PC-StereoPlanar>
<PC-StereoPlanar_left>6</PC-StereoPlanar_left>
<PC-StereoPlanar_ltop>4</PC-StereoPlanar_ltop>
<PC-StereoPlanar_lbottom>18</PC-StereoPlanar_lbottom>
<PC-StereoPlanar_right>7</PC-StereoPlanar_right>
<PC-StereoPlanar_rtop>5</PC-StereoPlanar_rtop>
<PC-StereoPlanar_rbottom>19</PC-StereoPlanar_rbottom>
<PC-StereoPlanar_parity value="any">3</PC-StereoPlanar_parity>
<PC-StereoPlanar_type value="planar">1</PC-StereoPlanar_type>
</PC-StereoPlanar>
</PC-StereoCenter_planar>
</PC-StereoCenter>
</PC-Compound_stereo>
<PC-Compound_coords>
<PC-Coordinates>
<PC-Coordinates_type>
<PC-CoordinateType value="twod">1</PC-CoordinateType>
<PC-CoordinateType value="computed">5</PC-CoordinateType>
<PC-CoordinateType value="units-unknown">255</PC-CoordinateType>
</PC-Coordinates_type>
<PC-Coordinates_aid>
<PC-Coordinates_aid_E>1</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>2</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>3</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>4</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>5</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>6</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>7</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>8</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>9</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>10</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>11</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>12</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>13</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>14</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>15</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>16</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>17</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>18</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>19</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>20</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>21</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>22</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>23</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>24</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>25</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>26</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>27</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>28</PC-Coordinates_aid_E>
<PC-Coordinates_aid_E>29</PC-Coordinates_aid_E>
</PC-Coordinates_aid>
<PC-Coordinates_conformers>
<PC-Conformer>
<PC-Conformer_x>
<PC-Conformer_x_E>5.4641</PC-Conformer_x_E>
<PC-Conformer_x_E>2</PC-Conformer_x_E>
<PC-Conformer_x_E>4.5981</PC-Conformer_x_E>
<PC-Conformer_x_E>3.732</PC-Conformer_x_E>
<PC-Conformer_x_E>4.5981</PC-Conformer_x_E>
<PC-Conformer_x_E>3.732</PC-Conformer_x_E>
<PC-Conformer_x_E>4.5981</PC-Conformer_x_E>
<PC-Conformer_x_E>2.866</PC-Conformer_x_E>
<PC-Conformer_x_E>4.5981</PC-Conformer_x_E>
<PC-Conformer_x_E>4.5981</PC-Conformer_x_E>
<PC-Conformer_x_E>2.866</PC-Conformer_x_E>
<PC-Conformer_x_E>5.4641</PC-Conformer_x_E>
<PC-Conformer_x_E>3.732</PC-Conformer_x_E>
<PC-Conformer_x_E>3.732</PC-Conformer_x_E>
<PC-Conformer_x_E>5.4641</PC-Conformer_x_E>
<PC-Conformer_x_E>3.732</PC-Conformer_x_E>
<PC-Conformer_x_E>4.5981</PC-Conformer_x_E>
<PC-Conformer_x_E>3.1951</PC-Conformer_x_E>
<PC-Conformer_x_E>5.135</PC-Conformer_x_E>
<PC-Conformer_x_E>2.3291</PC-Conformer_x_E>
<PC-Conformer_x_E>5.135</PC-Conformer_x_E>
<PC-Conformer_x_E>6.001</PC-Conformer_x_E>
<PC-Conformer_x_E>3.1951</PC-Conformer_x_E>
<PC-Conformer_x_E>3.732</PC-Conformer_x_E>
<PC-Conformer_x_E>6.001</PC-Conformer_x_E>
<PC-Conformer_x_E>3.1951</PC-Conformer_x_E>
<PC-Conformer_x_E>5.4641</PC-Conformer_x_E>
<PC-Conformer_x_E>2</PC-Conformer_x_E>
<PC-Conformer_x_E>5.135</PC-Conformer_x_E>
</PC-Conformer_x>
<PC-Conformer_y>
<PC-Conformer_y_E>-3.595</PC-Conformer_y_E>
<PC-Conformer_y_E>-3.595</PC-Conformer_y_E>
<PC-Conformer_y_E>3.905</PC-Conformer_y_E>
<PC-Conformer_y_E>-1.595</PC-Conformer_y_E>
<PC-Conformer_y_E>0.905</PC-Conformer_y_E>
<PC-Conformer_y_E>-0.595</PC-Conformer_y_E>
<PC-Conformer_y_E>-0.095</PC-Conformer_y_E>
<PC-Conformer_y_E>-2.095</PC-Conformer_y_E>
<PC-Conformer_y_E>-2.095</PC-Conformer_y_E>
<PC-Conformer_y_E>-3.095</PC-Conformer_y_E>
<PC-Conformer_y_E>-3.095</PC-Conformer_y_E>
<PC-Conformer_y_E>1.405</PC-Conformer_y_E>
<PC-Conformer_y_E>1.405</PC-Conformer_y_E>
<PC-Conformer_y_E>-3.595</PC-Conformer_y_E>
<PC-Conformer_y_E>2.405</PC-Conformer_y_E>
<PC-Conformer_y_E>2.405</PC-Conformer_y_E>
<PC-Conformer_y_E>2.905</PC-Conformer_y_E>
<PC-Conformer_y_E>-0.285</PC-Conformer_y_E>
<PC-Conformer_y_E>-0.405</PC-Conformer_y_E>
<PC-Conformer_y_E>-1.785</PC-Conformer_y_E>
<PC-Conformer_y_E>-1.785</PC-Conformer_y_E>
<PC-Conformer_y_E>1.095</PC-Conformer_y_E>
<PC-Conformer_y_E>1.095</PC-Conformer_y_E>
<PC-Conformer_y_E>-4.215</PC-Conformer_y_E>
<PC-Conformer_y_E>2.715</PC-Conformer_y_E>
<PC-Conformer_y_E>2.715</PC-Conformer_y_E>
<PC-Conformer_y_E>-4.215</PC-Conformer_y_E>
<PC-Conformer_y_E>-4.215</PC-Conformer_y_E>
<PC-Conformer_y_E>4.215</PC-Conformer_y_E>
</PC-Conformer_y>
<PC-Conformer_style>
<PC-DrawAnnotations>
<PC-DrawAnnotations_annotation>
<PC-BondAnnotation value="aromatic">8</PC-BondAnnotation>
<PC-BondAnnotation value="aromatic">8</PC-BondAnnotation>
<PC-BondAnnotation value="aromatic">8</PC-BondAnnotation>
<PC-BondAnnotation value="aromatic">8</PC-BondAnnotation>
<PC-BondAnnotation value="crossed">1</PC-BondAnnotation>
<PC-BondAnnotation value="aromatic">8</PC-BondAnnotation>
<PC-BondAnnotation value="aromatic">8</PC-BondAnnotation>
<PC-BondAnnotation value="aromatic">8</PC-BondAnnotation>
<PC-BondAnnotation value="aromatic">8</PC-BondAnnotation>
<PC-BondAnnotation value="aromatic">8</PC-BondAnnotation>
<PC-BondAnnotation value="aromatic">8</PC-BondAnnotation>
<PC-BondAnnotation value="aromatic">8</PC-BondAnnotation>
<PC-BondAnnotation value="aromatic">8</PC-BondAnnotation>
</PC-DrawAnnotations_annotation>
<PC-DrawAnnotations_aid1>
<PC-DrawAnnotations_aid1_E>4</PC-DrawAnnotations_aid1_E>
<PC-DrawAnnotations_aid1_E>4</PC-DrawAnnotations_aid1_E>
<PC-DrawAnnotations_aid1_E>5</PC-DrawAnnotations_aid1_E>
<PC-DrawAnnotations_aid1_E>5</PC-DrawAnnotations_aid1_E>
<PC-DrawAnnotations_aid1_E>6</PC-DrawAnnotations_aid1_E>
<PC-DrawAnnotations_aid1_E>8</PC-DrawAnnotations_aid1_E>
<PC-DrawAnnotations_aid1_E>9</PC-DrawAnnotations_aid1_E>
<PC-DrawAnnotations_aid1_E>10</PC-DrawAnnotations_aid1_E>
<PC-DrawAnnotations_aid1_E>11</PC-DrawAnnotations_aid1_E>
<PC-DrawAnnotations_aid1_E>12</PC-DrawAnnotations_aid1_E>
<PC-DrawAnnotations_aid1_E>13</PC-DrawAnnotations_aid1_E>
<PC-DrawAnnotations_aid1_E>15</PC-DrawAnnotations_aid1_E>
<PC-DrawAnnotations_aid1_E>16</PC-DrawAnnotations_aid1_E>
</PC-DrawAnnotations_aid1>
<PC-DrawAnnotations_aid2>
<PC-DrawAnnotations_aid2_E>8</PC-DrawAnnotations_aid2_E>
<PC-DrawAnnotations_aid2_E>9</PC-DrawAnnotations_aid2_E>
<PC-DrawAnnotations_aid2_E>12</PC-DrawAnnotations_aid2_E>
<PC-DrawAnnotations_aid2_E>13</PC-DrawAnnotations_aid2_E>
<PC-DrawAnnotations_aid2_E>7</PC-DrawAnnotations_aid2_E>
<PC-DrawAnnotations_aid2_E>11</PC-DrawAnnotations_aid2_E>
<PC-DrawAnnotations_aid2_E>10</PC-DrawAnnotations_aid2_E>
<PC-DrawAnnotations_aid2_E>14</PC-DrawAnnotations_aid2_E>
<PC-DrawAnnotations_aid2_E>14</PC-DrawAnnotations_aid2_E>
<PC-DrawAnnotations_aid2_E>15</PC-DrawAnnotations_aid2_E>
<PC-DrawAnnotations_aid2_E>16</PC-DrawAnnotations_aid2_E>
<PC-DrawAnnotations_aid2_E>17</PC-DrawAnnotations_aid2_E>
<PC-DrawAnnotations_aid2_E>17</PC-DrawAnnotations_aid2_E>
</PC-DrawAnnotations_aid2>
</PC-DrawAnnotations>
</PC-Conformer_style>
</PC-Conformer>
</PC-Coordinates_conformers>
</PC-Coordinates>
</PC-Compound_coords>
<PC-Compound_charge>0</PC-Compound_charge>
<PC-Compound_props>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>Compound</PC-Urn_label>
<PC-Urn_name>Canonicalized</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="uint">5</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_release>2011.04.04</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_ival>1</PC-InfoData_value_ival>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>Compound Complexity</PC-Urn_label>
<PC-Urn_datatype>
<PC-UrnDataType value="double">7</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_implementation>E_COMPLEXITY</PC-Urn_implementation>
<PC-Urn_version>3.384</PC-Urn_version>
<PC-Urn_software>Cactvs</PC-Urn_software>
<PC-Urn_source>xemistry.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_fval>246</PC-InfoData_value_fval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>Count</PC-Urn_label>
<PC-Urn_name>Hydrogen Bond Acceptor</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="uint">5</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_implementation>E_NHACCEPTORS</PC-Urn_implementation>
<PC-Urn_version>3.384</PC-Urn_version>
<PC-Urn_software>Cactvs</PC-Urn_software>
<PC-Urn_source>xemistry.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_ival>3</PC-InfoData_value_ival>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>Count</PC-Urn_label>
<PC-Urn_name>Hydrogen Bond Donor</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="uint">5</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_implementation>E_NHDONORS</PC-Urn_implementation>
<PC-Urn_version>3.384</PC-Urn_version>
<PC-Urn_software>Cactvs</PC-Urn_software>
<PC-Urn_source>xemistry.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_ival>3</PC-InfoData_value_ival>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>Count</PC-Urn_label>
<PC-Urn_name>Rotatable Bond</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="uint">5</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_implementation>E_NROTBONDS</PC-Urn_implementation>
<PC-Urn_version>3.384</PC-Urn_version>
<PC-Urn_software>Cactvs</PC-Urn_software>
<PC-Urn_source>xemistry.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_ival>2</PC-InfoData_value_ival>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>Fingerprint</PC-Urn_label>
<PC-Urn_name>SubStructure Keys</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="fingerprint">16</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_parameters>extended 2</PC-Urn_parameters>
<PC-Urn_implementation>E_SCREEN</PC-Urn_implementation>
<PC-Urn_version>3.384</PC-Urn_version>
<PC-Urn_software>Cactvs</PC-Urn_software>
<PC-Urn_source>xemistry.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_binary>00000371C0703000000000000000000000000000000000000000306000000000000000014000001A00000800000C0480980030068000020080022042000002000020200008880006088808272282111280700025C01508980780E0140E20000108000000004000021000000000000000000000</PC-InfoData_value_binary>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>IUPAC Name</PC-Urn_label>
<PC-Urn_name>Allowed</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="string">1</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>2.0.2</PC-Urn_version>
<PC-Urn_software>LexiChem</PC-Urn_software>
<PC-Urn_source>openeye.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_sval>5-[2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol</PC-InfoData_value_sval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>IUPAC Name</PC-Urn_label>
<PC-Urn_name>CAS-like Style</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="string">1</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>2.0.2</PC-Urn_version>
<PC-Urn_software>LexiChem</PC-Urn_software>
<PC-Urn_source>openeye.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_sval>5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol</PC-InfoData_value_sval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>IUPAC Name</PC-Urn_label>
<PC-Urn_name>Preferred</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="string">1</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>2.0.2</PC-Urn_version>
<PC-Urn_software>LexiChem</PC-Urn_software>
<PC-Urn_source>openeye.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_sval>5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol</PC-InfoData_value_sval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>IUPAC Name</PC-Urn_label>
<PC-Urn_name>Systematic</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="string">1</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>2.0.2</PC-Urn_version>
<PC-Urn_software>LexiChem</PC-Urn_software>
<PC-Urn_source>openeye.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_sval>5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol</PC-InfoData_value_sval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>IUPAC Name</PC-Urn_label>
<PC-Urn_name>Traditional</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="string">1</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>2.0.2</PC-Urn_version>
<PC-Urn_software>LexiChem</PC-Urn_software>
<PC-Urn_source>openeye.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_sval>5-[2-(4-hydroxyphenyl)vinyl]resorcinol</PC-InfoData_value_sval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>InChI</PC-Urn_label>
<PC-Urn_name>Standard</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="string">1</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>1.0.3</PC-Urn_version>
<PC-Urn_software>InChI</PC-Urn_software>
<PC-Urn_source>nist.gov</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_sval>InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H</PC-InfoData_value_sval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>InChIKey</PC-Urn_label>
<PC-Urn_name>Standard</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="string">1</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>1.0.3</PC-Urn_version>
<PC-Urn_software>InChI</PC-Urn_software>
<PC-Urn_source>nist.gov</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_sval>LUKBXSAWLPMMSZ-UHFFFAOYSA-N</PC-InfoData_value_sval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>Log P</PC-Urn_label>
<PC-Urn_name>XLogP3-AA</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="double">7</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>3.0</PC-Urn_version>
<PC-Urn_source>sioc-ccbg.ac.cn</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_fval>3.1</PC-InfoData_value_fval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>Mass</PC-Urn_label>
<PC-Urn_name>Exact</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="double">7</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>2.1</PC-Urn_version>
<PC-Urn_software>PubChem</PC-Urn_software>
<PC-Urn_source>ncbi.nlm.nih.gov</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_fval>228.078644</PC-InfoData_value_fval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>Molecular Formula</PC-Urn_label>
<PC-Urn_datatype>
<PC-UrnDataType value="string">1</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>2.1</PC-Urn_version>
<PC-Urn_software>PubChem</PC-Urn_software>
<PC-Urn_source>ncbi.nlm.nih.gov</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_sval>C14H12O3</PC-InfoData_value_sval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>Molecular Weight</PC-Urn_label>
<PC-Urn_datatype>
<PC-UrnDataType value="double">7</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>2.1</PC-Urn_version>
<PC-Urn_software>PubChem</PC-Urn_software>
<PC-Urn_source>ncbi.nlm.nih.gov</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_fval>228.24328</PC-InfoData_value_fval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>SMILES</PC-Urn_label>
<PC-Urn_name>Canonical</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="string">1</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>1.7.4</PC-Urn_version>
<PC-Urn_software>OEChem</PC-Urn_software>
<PC-Urn_source>openeye.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_sval>C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O</PC-InfoData_value_sval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>SMILES</PC-Urn_label>
<PC-Urn_name>Isomeric</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="string">1</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>1.7.4</PC-Urn_version>
<PC-Urn_software>OEChem</PC-Urn_software>
<PC-Urn_source>openeye.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_sval>C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O</PC-InfoData_value_sval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>Topological</PC-Urn_label>
<PC-Urn_name>Polar Surface Area</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="double">7</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_implementation>E_TPSA</PC-Urn_implementation>
<PC-Urn_version>3.384</PC-Urn_version>
<PC-Urn_software>Cactvs</PC-Urn_software>
<PC-Urn_source>xemistry.com</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_fval>60.7</PC-InfoData_value_fval>
</PC-InfoData_value>
</PC-InfoData>
<PC-InfoData>
<PC-InfoData_urn>
<PC-Urn>
<PC-Urn_label>Weight</PC-Urn_label>
<PC-Urn_name>MonoIsotopic</PC-Urn_name>
<PC-Urn_datatype>
<PC-UrnDataType value="double">7</PC-UrnDataType>
</PC-Urn_datatype>
<PC-Urn_version>2.1</PC-Urn_version>
<PC-Urn_software>PubChem</PC-Urn_software>
<PC-Urn_source>ncbi.nlm.nih.gov</PC-Urn_source>
<PC-Urn_release>2011.09.13</PC-Urn_release>
</PC-Urn>
</PC-InfoData_urn>
<PC-InfoData_value>
<PC-InfoData_value_fval>228.078644</PC-InfoData_value_fval>
</PC-InfoData_value>
</PC-InfoData>
</PC-Compound_props>
<PC-Compound_count>
<PC-Count>
<PC-Count_heavy-atom>17</PC-Count_heavy-atom>
<PC-Count_atom-chiral>0</PC-Count_atom-chiral>
<PC-Count_atom-chiral-def>0</PC-Count_atom-chiral-def>
<PC-Count_atom-chiral-undef>0</PC-Count_atom-chiral-undef>
<PC-Count_bond-chiral>1</PC-Count_bond-chiral>
<PC-Count_bond-chiral-def>0</PC-Count_bond-chiral-def>
<PC-Count_bond-chiral-undef>1</PC-Count_bond-chiral-undef>
<PC-Count_isotope-atom>0</PC-Count_isotope-atom>
<PC-Count_covalent-unit>1</PC-Count_covalent-unit>
<PC-Count_tautomers>25</PC-Count_tautomers>
</PC-Count>
</PC-Compound_count>
</PC-Compound>
</PC-Compounds>