Summary

Molecular formula: C30H24O9
SMILES: COc1cc2C(=O)C(=O)C(=C3c4c2c2c1c(OC)cc(c2c1c4c(=C(C3)C)c(c(c1O)OC)C(=O)C)O)OC
InChI: InChI=1S/C30H24O9/c1-10-7-13-20-19-12(26(33)28(35)29(13)38-5)8-15(36-3)22-16(37-4)9-14(32)21(24(19)22)25-23(20)17(10)18(11(2)31)30(39-6)27(25)34/h8-9,32,34H,7H2,1-6H3
InChIKey: RMKASJPDEIDZMG-UHFFFAOYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2CC=c3cccc4c3c2c2c(ccc3cccc4c32)C1=O

Scaffold Graph/Node level:
OC1CC2CCC3CCCC4C5CCCC6CCC(C1O)C(C65)C2C34

Scaffold Graph level:
CC1CC2CCC3CCCC4C5CCCC6CCC(C1C)C(C65)C2C34

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Chemical classification

Kingdom: Organic compounds
Super class: Benzenoids
Class: Phenanthrenes and derivatives
Sub class: Phenanthrols

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Synonymous chemical names:
hypocrellin b

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External chemical identifiers:
CAS_123940-54-5; NPATLAS_NPA001103; CHEMSPIDER_20129625

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Chemical structure download