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CHEBI:3865 - Convallagenin A 3-O-alpha-L-arabinopyranoside

Default Structure
ChEBI IDCHEBI:3865
ChEBI NameConvallagenin A 3-O-alpha-L-arabinopyranoside
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC32H52O9
Net Charge0
Average Mass580.759
Monoisotopic Mass580.36113
SMILES[H][C@@]12CC[C@]3(O)C[C@@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)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/C32H52O9/c1-16-5-10-32(39-14-16)17(2)25-23(41-32)12-21-19-6-9-31(37)13-18(40-28-27(36)26(35)22(33)15-38-28)11-24(34)30(31,4)20(19)7-8-29(21,25)3/h16-28,33-37H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21-,22-,23-,24+,25-,26-,27+,28-,29-,30-,31-,32+/m0/s1
InChIKeyCDJCQFDFKCXDKX-ZCYOMUHCSA-N
ChEBI Ontology
Outgoing Relation(s)
Convallagenin A 3-O-alpha-L-arabinopyranoside (CHEBI:3865) is a triterpenoid (CHEBI:36615)
Synonym  Source
Convallasaponin AKEGG COMPOUND
Manual XrefsDatabases
C00003570KNApSAcK
C08893KEGG COMPOUND
Registry NumbersSources
CAS:19316-94-0KEGG COMPOUND