
 CHEMBL286808

 38 41  0  0  0  0  0  0  0  0999 V2000
   -3.7847   -0.9451    0.3612 C   0  0  0  0  0
   -3.1231   -2.1619    0.4407 C   0  0  0  0  0
   -1.8189   -2.2506   -0.0217 C   0  0  0  0  0
   -1.1824   -1.1123   -0.5439 C   0  0  0  0  0
   -1.8138    0.1463   -0.6520 C   0  0  0  0  0
   -3.1440    0.1772   -0.1846 C   0  0  0  0  0
   -1.0736    1.3807   -1.3599 C   0  0  0  0  0
    0.3552    1.7878   -0.8270 C   0  0  0  0  0
   -0.3828    2.8741    0.0177 C   0  0  0  0  0
   -1.4496    2.8786   -1.1134 C   0  0  0  0  0
   -2.8660    3.3503   -0.7905 C   0  0  0  0  0
   -3.8610    3.2719   -1.5001 O   0  0  0  0  0
   -2.9872    3.9424    0.4209 O   0  0  0  0  0
    0.3379    4.2179    0.2614 C   0  0  0  0  0
    0.7058    5.0362   -0.5729 O   0  0  0  0  0
    0.5701    4.4783    1.5689 O   0  0  0  0  0
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   -3.7416    1.0784   -0.2619 H   0  0  0  0  0
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    0.9366    2.2511   -1.6441 H   0  0  0  0  0
   -0.7742    2.4633    0.9617 H   0  0  0  0  0
   -1.1093    3.4862   -1.9721 H   0  0  0  0  0
   -3.9292    4.2151    0.4592 H   0  0  0  0  0
    0.9960    5.3620    1.5640 H   0  0  0  0  0
    2.4747    2.3414    0.8774 H   0  0  0  0  0
    4.1032    0.8623    1.9524 H   0  0  0  0  0
    3.9883   -1.5940    1.6099 H   0  0  0  0  0
    2.1837   -2.5479    0.2076 H   0  0  0  0  0
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  1  6  1  0  0  0
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  2  3  1  0  0  0
  2 26  1  0  0  0
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  4  5  1  0  0  0
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  7 29  1  0  0  0
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  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL286808

>  <PubChem CID>
14041110

>  <Formula>
C19H14O5

>  <Molecular Weight>
322.316000

>  <IUPAC Name>


>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C2C(=C1)C3C(C(C3C(=O)O)C(=O)O)C4=CC=CC=C4C2=O

>  <Isomeric SMILES>
C1=CC=C2C(=C1)[C@@H]3[C@@H]([C@@H]([C@@H]3C(=O)O)C(=O)O)C4=CC=CC=C4C2=O

>  <InChI Std. ID>
InChI=1S/C19H14O5/c20-17-11-7-3-1-5-9(11)13-14(10-6-2-4-8-12(10)17)16(19(23)24)15(13)18(21)22/h1-8,13-16H,(H,21,22)(H,23,24)/t13-,14+,15-,16+

>  <InChI Key>
BDGPBYUEDIIAAK-GEEKYZPCSA-N

