Summary

Molecular formula: C19H12O7
SMILES: Oc1cc(/C=C/c2oc(=O)c3c(c2)oc2c3cc(c(c2)O)O)ccc1O
InChI: InChI=1S/C19H12O7/c20-12-4-2-9(5-13(12)21)1-3-10-6-17-18(19(24)25-10)11-7-14(22)15(23)8-16(11)26-17/h1-8,20-23H/b3-1+
InChIKey: RXORBHSDVJWVOW-HNQUOIGGSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc(C=Cc2ccccc2)cc2oc3ccccc3c12

Scaffold Graph/Node level:
OC1OC(CCC2CCCCC2)CC2OC3CCCCC3C12

Scaffold Graph level:
CC1CC(CCC2CCCCC2)CC2CC3CCCCC3C12

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Chemical classification

Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Furopyrans

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Synonymous chemical names:
phellibaumin a

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External chemical identifiers:
CID_54581651; NPATLAS_NPA007722; CHEMSPIDER_26339464; ZINC_ZINC000071341228

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Chemical structure download