Summary

Molecular formula: C23H20O6
SMILES: COc1cc2O[C@@H](CC(=O)c2c(c1Cc1ccccc1O)O)c1ccc(cc1)O
InChI: InChI=1S/C23H20O6/c1-28-20-12-21-22(23(27)16(20)10-14-4-2-3-5-17(14)25)18(26)11-19(29-21)13-6-8-15(24)9-7-13/h2-9,12,19,24-25,27H,10-11H2,1H3/t19-/m0/s1
InChIKey: SCYWNQTZQMNLGR-IBGZPJMESA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccc(Cc3ccccc3)cc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCC(CC3CCCCC3)CC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCC(CC3CCCCC3)CC12

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Chemical classification

Kingdom: Organic compounds
Super class: Phenylpropanoids and polyketides
Class: Diarylheptanoids
Sub class: Linear diarylheptanoids

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Synonymous chemical names:
epi-methylphelligrin a

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External chemical identifiers:
CID_53248706; NPATLAS_NPA009317; CHEMSPIDER_26336896; ZINC_ZINC000071331992

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Chemical structure download