Ketcher 07131810472D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:141344

> <NAME>
dichlorodiaportinolide

> <STAR>
2

> <FORMULA>
C16H16Cl2O7

> <MASS>
391.201

> <MONOISOTOPIC_MASS>
390.02731

> <CHARGE>
0

> <SMILES>
C=1(C2C(C=C(C1)OC)C=C(OC2=O)CC3(OC([C@H](C3)O)=O)C(Cl)Cl)O

> <INCHI>
InChI=1S/C16H16Cl2O7/c1-23-8-2-7-3-9(24-14(22)12(7)10(19)4-8)5-16(15(17)18)6-11(20)13(21)25-16/h2-4,7,11-12,15,19-20H,5-6H2,1H3/t7?,11-,12?,16?/m0/s1

> <INCHIKEY>
VGDCFUPJKMVWMA-IHYLGMPPSA-N

> <PUBMED_CITATION>
27867266

$$$$