Summary

Molecular formula: C20H12O7
SMILES: Oc1ccc(cc1)/C=C/c1oc(=O)c2c(c1)oc(=O)c1c2cc(O)c(c1)O
InChI: InChI=1S/C20H12O7/c21-11-4-1-10(2-5-11)3-6-12-7-17-18(20(25)26-12)13-8-15(22)16(23)9-14(13)19(24)27-17/h1-9,21-23H/b6-3+
InChIKey: PHNDPMPVQSECSJ-ZZXKWVIFSA-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 b, phelligridin c

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External chemical identifiers:
CID_10248188; NPATLAS_NPA018176; CHEMSPIDER_8423675; ZINC_ZINC000014589300

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Chemical structure download