Summary

Molecular formula: C23H14O10
SMILES: Oc1cc2c3c(=O)oc(cc3oc(=O)c2cc1O)C1=Cc2c(C1(O)C(=O)C)cc(c(c2)O)O
InChI: InChI=1S/C23H14O10/c1-8(24)23(31)12-6-17(28)14(25)3-9(12)2-13(23)18-7-19-20(22(30)32-18)10-4-15(26)16(27)5-11(10)21(29)33-19/h2-7,25-28,31H,1H3
InChIKey: NITFEFGLVNCSOC-UHFFFAOYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc2cc(C3=Cc4ccccc4C3)oc(=O)c2c2ccccc12

Scaffold Graph/Node level:
OC1OC2CC(C3CC4CCCCC4C3)OC(O)C2C2CCCCC12

Scaffold Graph level:
CC1CC2CC(C3CC4CCCCC4C3)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:
inonoblin b

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External chemical identifiers:
CID_25120739; NPATLAS_NPA008414; CHEMSPIDER_23298717

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Chemical structure download