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CHEBI:2932 - Austrobailignan 1

ChEBI IDCHEBI:2932
ChEBI NameAustrobailignan 1
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H18O7
Net Charge0
Average Mass382.368
Monoisotopic Mass382.10525
SMILES[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c3c(c1)OCO3)c1cc3c(cc1C2)OCO3
InChIInChI=1S/C21H18O7/c1-23-16-4-11(5-17-20(16)28-9-27-17)18-13-6-15-14(25-8-26-15)3-10(13)2-12-7-24-21(22)19(12)18/h3-6,12,18-19H,2,7-9H2,1H3/t12-,18+,19-/m0/s1
InChIKeyGROYKMASYUMFER-RQUSPXKASA-N
ChEBI Ontology
Outgoing Relation(s)
Austrobailignan 1 (CHEBI:2932) is a lactone (CHEBI:25000)
Austrobailignan 1 (CHEBI:2932) is a lignan (CHEBI:25036)
Synonym  Source
Austrobailignan 1KEGG COMPOUND
Manual XrefsDatabases
C10546KEGG COMPOUND
C00002589KNApSAcK
Registry NumbersSources
CAS:55955-07-2KEGG COMPOUND