Summary

Molecular formula: C22H18O6
SMILES: Oc1ccc(cc1)[C@H]1CC(=O)c2c(O1)cc(c(c2O)Cc1ccccc1O)O
InChI: InChI=1S/C22H18O6/c23-14-7-5-12(6-8-14)19-11-18(26)21-20(28-19)10-17(25)15(22(21)27)9-13-3-1-2-4-16(13)24/h1-8,10,19,23-25,27H,9,11H2/t19-/m1/s1
InChIKey: OEPZGPZSYKMOSV-LJQANCHMSA-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:
phelligrin a

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External chemical identifiers:
CID_54586497; ZINC_ZINC000014811094

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Chemical structure download