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CHEBI:4914 - Eucommin A

Default Structure
ChEBI IDCHEBI:4914
ChEBI NameEucommin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H34O12
Net Charge0
Average Mass550.557
Monoisotopic Mass550.20503
SMILES[H][C@]12CO[C@H](c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@]1([H])CO[C@@H]2c1ccc(O)c(OC)c1
InChIInChI=1S/C27H34O12/c1-33-17-6-12(4-5-16(17)29)24-14-10-37-25(15(14)11-36-24)13-7-18(34-2)26(19(8-13)35-3)39-27-23(32)22(31)21(30)20(9-28)38-27/h4-8,14-15,20-25,27-32H,9-11H2,1-3H3/t14-,15-,20+,21+,22-,23+,24+,25+,27-/m0/s1
InChIKeyGLGVEKKQPFRBAS-UOVCOODASA-N
ChEBI Ontology
Outgoing Relation(s)
Eucommin A (CHEBI:4914) is a glycoside (CHEBI:24400)
Eucommin A (CHEBI:4914) is a lignan (CHEBI:25036)
Synonyms  Source
Eucommin AKEGG COMPOUND
Medioresinol 4'-O-beta-D-glucopyranosideKEGG COMPOUND
Manual XrefsDatabases
C00002601KNApSAcK
C10560KEGG COMPOUND
Registry NumbersSources
CAS:99633-12-2KEGG COMPOUND