
 CHEMBL264543

 58 62  0  0  0  0  0  0  0  0999 V2000
    2.0809   -0.3937    1.2091 C   0  0  0  0  0
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   11.5311    1.2517    5.4383 O   0  0  0  0  0
   10.2216    1.1231    6.0315 C   0  0  0  0  0
    9.1574    1.0422    5.0618 O   0  0  0  0  0
    2.8986   -0.8092    1.8070 H   0  0  0  0  0
    1.4880   -1.2208    0.8070 H   0  0  0  0  0
    1.4532    0.1848    1.8960 H   0  0  0  0  0
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    0.8572    1.7453   -0.0723 H   0  0  0  0  0
    0.8646    0.3481   -1.1762 H   0  0  0  0  0
    1.8927    1.7629   -1.4930 H   0  0  0  0  0
    5.1112   -0.5007    0.3313 H   0  0  0  0  0
    7.0621    4.0539    0.2158 H   0  0  0  0  0
    4.6342    3.7553    0.6093 H   0  0  0  0  0
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    6.8943   -1.8969   -2.4022 H   0  0  0  0  0
    6.0172   -4.1800   -2.4619 H   0  0  0  0  0
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   10.6300   -2.6690   -1.6578 H   0  0  0  0  0
    8.2532    0.9984    2.5203 H   0  0  0  0  0
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   10.2030    0.2170    6.6475 H   0  0  0  0  0
   10.0426    1.9907    6.6763 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
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  2 38  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
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  4  5  1  0  0  0
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  5  6  2  0  0  0
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  6 42  1  0  0  0
  7  8  2  0  0  0
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 33 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL264543

>  <PubChem CID>
10961546

>  <Formula>
C27H24O7

>  <Molecular Weight>
460.482000

>  <IUPAC Name>
(2S)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)OC1=CC2=C(C=C1)OC(C(=C2C3=CC=C(C=C3)OC)C(=O)O)C4=CC5=C(C=C4)OCO5

>  <Isomeric SMILES>
CC(C)OC1=CC2=C(C=C1)O[C@H](C(=C2C3=CC=C(C=C3)OC)C(=O)O)C4=CC5=C(C=C4)OCO5

>  <InChI Std. ID>
InChI=1S/C27H24O7/c1-15(2)33-19-9-11-21-20(13-19)24(16-4-7-18(30-3)8-5-16)25(27(28)29)26(34-21)17-6-10-22-23(12-17)32-14-31-22/h4-13,15,26H,14H2,1-3H3,(H,28,29)/t26-/m0/s1

>  <InChI Key>
BATSJXIVNKJCKQ-SANMLTNESA-N

