Summary

Molecular formula: C20H12O8
SMILES: Oc1ccc(cc1O)/C=C/c1oc(=O)c2c(c1)oc(=O)c1c2cc(O)c(c1)O
InChI: InChI=1S/C20H12O8/c21-13-4-2-9(5-14(13)22)1-3-10-6-17-18(20(26)27-10)11-7-15(23)16(24)8-12(11)19(25)28-17/h1-8,21-24H/b3-1+
InChIKey: KKEIHFGUYDHUBS-HNQUOIGGSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc2cc(C=Cc3ccccc3)oc(=O)c2c2ccccc12

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

Scaffold Graph level:
CC1CC2CC(CCC3CCCCC3)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:
meshimakobnol a, phelligridin d

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External chemical identifiers:
CID_10339712; NPATLAS_NPA017319; CHEMSPIDER_8515171; ZINC_ZINC000014589299

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Chemical structure download