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CHEBI:186310 - Evasterioside C

ChEBI IDCHEBI:186310
ChEBI NameEvasterioside C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H51O12S.Na
Net Charge0
Average Mass670.794
Monoisotopic Mass670.29989
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)C[C@]3([H])[C@H](C)/C=C/C(C)COS(=O)(=O)[O-])[C@]1(O)C[C@@H](O)[C@@]1([H])C[C@@H](O[C@@H]3OC[C@@H](O)C(O)[C@@H]3O)CC[C@]21C.[Na+]
InChIInChI=1S/C31H52O12S.Na/c1-16(14-42-44(38,39)40)5-6-17(2)19-12-21(32)27-30(19,4)10-8-24-29(3)9-7-18(11-20(29)22(33)13-31(24,27)37)43-28-26(36)25(35)23(34)15-41-28;/h5-6,16-28,32-37H,7-15H2,1-4H3,(H,38,39,40);/q;+1/p-1/b6-5+;/t16?,17-,18+,19-,20-,21+,22-,23-,24-,25?,26+,27-,28+,29+,30-,31+;/m1./s1
InChIKeyDDCCTGGDKINQNE-MVVXOEFRSA-M
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
Evasterioside C (CHEBI:186310) is a steroid saponin (CHEBI:61655)
IUPAC Name 
sodium;[(E,5R)-2-methyl-5-[(3S,5S,6R,8S,9R,10S,13R,14S,15S,17R)-6,8,15-trihydroxy-10,13-dimethyl-3-[(2S,3S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]hex-3-enyl] sulate
Manual XrefsDatabases
LMST05050008LIPID MAPS