
 CHEMBL64447

 58 61  0  0  0  0  0  0  0  0999 V2000
    2.1810    2.8650   -1.1108 C   0  0  0  0  0
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   11.1094   -1.2668   -0.4047 O   0  0  0  0  0
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    9.4201    0.9826    2.7985 C   0  0  0  0  0
   11.5834    2.3331    5.4340 O   0  0  0  0  0
   12.7598    3.0270    4.9706 C   0  0  0  0  0
   12.8877    3.0463    3.5337 O   0  0  0  0  0
    3.0508    2.9489   -1.7696 H   0  0  0  0  0
    1.4435    3.6139   -1.4161 H   0  0  0  0  0
    1.7562    1.8681   -1.2752 H   0  0  0  0  0
    3.0009    4.0501    0.5023 H   0  0  0  0  0
    0.9045    1.9396    1.1728 H   0  0  0  0  0
    0.6146    3.6900    1.0196 H   0  0  0  0  0
    1.6616    3.0507    2.3058 H   0  0  0  0  0
    4.9880    0.0198    0.4040 H   0  0  0  0  0
    7.4156    4.3265    0.0901 H   0  0  0  0  0
    5.0087    4.3255    0.5072 H   0  0  0  0  0
   10.5817    1.1593   -0.4171 H   0  0  0  0  0
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   13.6446    2.5391    5.3952 H   0  0  0  0  0
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 31 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL64447

>  <PubChem CID>
11102201

>  <Formula>
C25H26O7

>  <Molecular Weight>
438.476000

>  <IUPAC Name>
2-(1,3-benzodioxol-5-yl)-4-pent-4-enoxy-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(=C2OCCCC=C)C(=O)O)C3=CC4=C(C=C3)OCO4

>  <Isomeric SMILES>
CC(C)OC1=CC2=C(C=C1)OC(C(=C2OCCCC=C)C(=O)O)C3=CC4=C(C=C3)OCO4

>  <InChI Std. ID>
InChI=1S/C25H26O7/c1-4-5-6-11-28-24-18-13-17(31-15(2)3)8-10-19(18)32-23(22(24)25(26)27)16-7-9-20-21(12-16)30-14-29-20/h4,7-10,12-13,15,23H,1,5-6,11,14H2,2-3H3,(H,26,27)

>  <InChI Key>
DSQSZBYLXUBISF-UHFFFAOYSA-N

