Summary

Molecular formula: C27H22O11
SMILES: COC(=O)CC1=CC(=O)[C@@H]([C@H](O1)c1ccc(c(c1)O)O)c1c(O)cc(oc1=O)/C=C/c1ccc(c(c1)O)O
InChI: InChI=1S/C27H22O11/c1-36-23(34)12-16-11-21(32)24(26(37-16)14-4-7-18(29)20(31)9-14)25-22(33)10-15(38-27(25)35)5-2-13-3-6-17(28)19(30)8-13/h2-11,24,26,28-31,33H,12H2,1H3/b5-2+/t24-,26-/m1/s1
InChIKey: JZRMMLYGOBWIGY-HZFVGLMFSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=COC(c2ccccc2)C1c1ccc(C=Cc2ccccc2)oc1=O

Scaffold Graph/Node level:
OC1CCOC(C2CCCCC2)C1C1CCC(CCC2CCCCC2)OC1O

Scaffold Graph level:
CC1CC(CCC2CCCCC2)CCC1C1C(C)CCCC1C1CCCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Benzenoids
Class: Phenols
Sub class: Benzenediols

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Synonymous chemical names:
baumin

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External chemical identifiers:
CID_54737530; NPATLAS_NPA001505; CHEMSPIDER_25053800; ZINC_ZINC000058583406

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Chemical structure download