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CHEBI:3862 - Convallagenin A

Default Structure
ChEBI IDCHEBI:3862
ChEBI NameConvallagenin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H44O5
Net Charge0
Average Mass448.644
Monoisotopic Mass448.31887
SMILES[H][C@@]12CC[C@]3(O)C[C@@H](O)C[C@@H](O)[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@]3(CC[C@H](C)CO3)[C@@H](C)[C@]12[H]
InChIInChI=1S/C27H44O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)12-20-18-6-9-26(30)13-17(28)11-22(29)25(26,4)19(18)7-8-24(20,23)3/h15-23,28-30H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
InChIKeyZUAUXYWVXMTADI-ZRUUGFNHSA-N
ChEBI Ontology
Outgoing Relation(s)
Convallagenin A (CHEBI:3862) is a triterpenoid (CHEBI:36615)
Synonym  Source
Convallagenin AKEGG COMPOUND
Manual XrefsDatabases
C00003567KNApSAcK
C08890KEGG COMPOUND
Registry NumbersSources
CAS:17149-95-0KEGG COMPOUND