Summary

Molecular formula: C23H20O6
SMILES: COc1cc(O)c2c(c1Cc1ccccc1O)O[C@H](CC2=O)c1ccc(cc1)O
InChI: InChI=1S/C23H20O6/c1-28-21-12-19(27)22-18(26)11-20(13-6-8-15(24)9-7-13)29-23(22)16(21)10-14-4-2-3-5-17(14)25/h2-9,12,20,24-25,27H,10-11H2,1H3/t20-/m1/s1
InChIKey: BOEWXOMRJRXFIU-HXUWFJFHSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2c(Cc3ccccc3)cccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C(CC3CCCCC3)CCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C(CC3CCCCC3)CCCC12

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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:
methylphelligrin b

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External chemical identifiers:
CID_53248708; NPATLAS_NPA003598; CHEMSPIDER_26338735; ZINC_ZINC000071340537

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Chemical structure download