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CHEBI:185579 - Ginsenoside La

Default Structure
ChEBI IDCHEBI:185579
ChEBI NameGinsenoside La
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H68O13
Net Charge0
Average Mass768.982
Monoisotopic Mass768.46599
SMILES[H][C@]12C[C@@]3([H])O[C@@H](C=C(C)C)C[C@](C)(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@]4([H])CC[C@@](C)(C34)[C@]1([H])CCC1C(C)(C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]12C
InChIInChI=1S/C41H68O13/c1-19(2)14-20-16-41(7,54-37-35(49)33(47)31(45)26(18-43)52-37)22-10-12-40(6)21-8-9-27-38(3,4)28(53-36-34(48)32(46)30(44)25(17-42)51-36)11-13-39(27,5)23(21)15-24(50-20)29(22)40/h14,20-37,42-49H,8-13,15-18H2,1-7H3/t20-,21+,22-,23-,24+,25+,26+,27?,28-,29?,30+,31+,32-,33-,34+,35+,36-,37-,39+,40+,41-/m0/s1
InChIKeyVOUCMBDNXOKLCQ-YATHHJDDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Ginsenoside La (CHEBI:185579) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,2R,7S,10R,11S,13R,15R,17S,18S)-1,6,6,10,17-pentamethyl-15-(2-methylprop-1-enyl)-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxapentacyclo[11.7.1.02,11.05,10.018,21]henicosan-7-yl]oxy]oxane-3,4,5-triol
Manual XrefsDatabases
115065ChemSpider
Registry NumbersSources
CAS:123617-34-5ChemIDplus