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CHEBI:173141 - Glyyunnansapogenin B

Default Structure
ChEBI IDCHEBI:173141
ChEBI NameGlyyunnansapogenin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O5
Net Charge0
Average Mass488.709
Monoisotopic Mass488.35017
SMILES[H][C@]12CC=C3[C@@]4([H])C[C@](C)(C(=O)O)[C@H](O)C[C@]4(C)CC[C@@]3(C)[C@]1(C)CCC1[C@]2(C)CC[C@H](O)[C@]1(C)CO
InChIInChI=1S/C30H48O5/c1-25-13-14-29(5)18(19(25)15-27(3,24(34)35)23(33)16-25)7-8-21-26(2)11-10-22(32)28(4,17-31)20(26)9-12-30(21,29)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20?,21-,22+,23-,25+,26+,27+,28-,29-,30-/m1/s1
InChIKeyZXWLSOQCDSAYHO-CXPCWDADSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
Glyyunnansapogenin B (CHEBI:173141) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2S,3R,4aS,6aR,6aS,6bR,9S,10S,12aR,14bS)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
Manual XrefsDatabases
116109ChemSpider
Registry NumbersSources
CAS:131177-50-9ChemIDplus