Summary

Molecular formula: C33H18O13
SMILES: Oc1ccc(cc1O)c1oc2c(c1c1oc(=O)c3c(c1)oc(=O)c1c3cc(O)c(c1)O)c(=O)oc(c2)/C=C/c1ccc(c(c1)O)O
InChI: InChI=1S/C33H18O13/c34-18-5-2-13(7-20(18)36)1-4-15-9-24-29(33(42)43-15)28(30(44-24)14-3-6-19(35)21(37)8-14)26-12-25-27(32(41)46-26)16-10-22(38)23(39)11-17(16)31(40)45-25/h1-12,34-39H/b4-1+
InChIKey: PGRXQKVGAJTEBU-DAFODLJHSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc2cc(-c3c(-c4ccccc4)oc4cc(C=Cc5ccccc5)oc(=O)c34)oc(=O)c2c2ccccc12

Scaffold Graph/Node level:
OC1OC2CC(C3C(C4CCCCC4)OC4CC(CCC5CCCCC5)OC(O)C43)OC(O)C2C2CCCCC12

Scaffold Graph level:
CC1CC2CC(C3C(C4CCCCC4)CC4CC(CCC5CCCCC5)CC(C)C43)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 h

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External chemical identifiers:
CID_16109844; NPATLAS_NPA006400; CHEMSPIDER_17267228; ZINC_ZINC000049776352

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Chemical structure download