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CHEBI:172793 - Lucyoside R

ChEBI IDCHEBI:172793
ChEBI NameLucyoside R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H58O11
Net Charge0
Average Mass666.849
Monoisotopic Mass666.39791
SMILES[H][C@]12CC=C3[C@@]4([H])CC(C)(C)[C@@H](O)C[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CCC1[C@](C)(CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)C[C@@]12C
InChIInChI=1S/C36H58O11/c1-31(2)13-19-18-7-8-23-32(3)14-20(39)28(47-29-27(43)26(42)25(41)21(16-37)46-29)33(4,17-38)22(32)9-10-35(23,6)34(18,5)11-12-36(19,30(44)45)15-24(31)40/h7,19-29,37-43H,8-17H2,1-6H3,(H,44,45)/t19-,20-,21-,22?,23-,24+,25-,26+,27-,28+,29+,32+,33+,34-,35-,36-/m1/s1
InChIKeyXARTTWLFBGJXMU-WOQWDUHQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Lucyoside R (CHEBI:172793) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
(3S,4aR,6aR,6aS,6bR,9R,10R,11R,12aR,14bR)-3,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Manual XrefsDatabases
2340713ChemSpider
Registry NumbersSources
CAS:206270-86-2ChemIDplus