Summary

Molecular formula: C13H6O8
SMILES: OC(=O)c1oc(=O)c2c(c1)oc(=O)c1c2cc(O)c(c1)O
InChI: InChI=1S/C13H6O8/c14-6-1-4-5(2-7(6)15)12(18)20-8-3-9(11(16)17)21-13(19)10(4)8/h1-3,14-15H,(H,16,17)
InChIKey: HRPMTHJYSWKEDI-UHFFFAOYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc2ccoc(=O)c2c2ccccc12

Scaffold Graph/Node level:
OC1OC2CCOC(O)C2C2CCCCC12

Scaffold Graph level:
CC1CC2CCCC(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 j

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External chemical identifiers:
CID_16109845; NPATLAS_NPA016840; CHEMSPIDER_17267229; ZINC_ZINC000014650576

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Chemical structure download