Summary

Molecular formula: C22H18O6
SMILES: Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)c(Cc1ccccc1O)c(cc2O)O
InChI: InChI=1S/C22H18O6/c23-14-7-5-12(6-8-14)20-11-19(27)21-18(26)10-17(25)15(22(21)28-20)9-13-3-1-2-4-16(13)24/h1-8,10,20,23-26H,9,11H2/t20-/m0/s1
InChIKey: IWPOXYXCMQVRPC-FQEVSTJZSA-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:
phelligrin b

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Chemical structure download