Summary

Molecular formula: C25H14O10
SMILES: CC1=CC(=O)C2(O1)C(=Cc1c2cc(O)c(c1)O)c1oc(=O)c2c(c1)oc(=O)c1c2cc(O)c(c1)O
InChI: InChI=1S/C25H14O10/c1-9-2-21(30)25(35-9)13-7-18(29)15(26)4-10(13)3-14(25)19-8-20-22(24(32)33-19)11-5-16(27)17(28)6-12(11)23(31)34-20/h2-8,26-29H,1H3
InChIKey: DMSAIYCKECUGHO-UHFFFAOYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=COC12C(c1cc3oc(=O)c4ccccc4c3c(=O)o1)=Cc1ccccc12

Scaffold Graph/Node level:
OC1OC2CC(C3CC4CCCCC4C34OCCC4O)OC(O)C2C2CCCCC12

Scaffold Graph level:
CC1CC2CC(C3CC4CCCCC4C34CCCC4C)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 e

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External chemical identifiers:
CID_11488329; NPATLAS_NPA010169; CHEMSPIDER_9663141

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Chemical structure download