Summary

Molecular formula: C32H18O12
SMILES: Oc1cc2c(cc1O)C=C(C12OC(=CC1=O)/C=C/c1ccc(c(c1)O)O)c1oc(=O)c2c(c1)oc(=O)c1c2cc(O)c(c1)O
InChI: InChI=1S/C32H18O12/c33-20-4-2-13(5-21(20)34)1-3-15-8-28(39)32(44-15)18-11-25(38)22(35)7-14(18)6-19(32)26-12-27-29(31(41)42-26)16-9-23(36)24(37)10-17(16)30(40)43-27/h1-12,33-38H/b3-1+
InChIKey: FNYDGJUOSXPBRL-HNQUOIGGSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C(C=Cc2ccccc2)OC12C(c1cc3oc(=O)c4ccccc4c3c(=O)o1)=Cc1ccccc12

Scaffold Graph/Node level:
OC1OC2CC(C3CC4CCCCC4C34OC(CCC3CCCCC3)CC4O)OC(O)C2C2CCCCC12

Scaffold Graph level:
CC1CC2CC(C3CC4CCCCC4C34CC(CCC3CCCCC3)CC4C)CC(C)C2C2CCCCC12

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Chemical classification

Kingdom: Organic compounds
Super class: Phenylpropanoids and polyketides
Class: Isocoumarins and derivatives

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Synonymous chemical names:
phelligridin g

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External chemical identifiers:
CID_11444732; CHEMSPIDER_9619594

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Chemical structure download