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CHEBI:188122 - Evasterioside B

ChEBI IDCHEBI:188122
ChEBI NameEvasterioside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H53O12S.Na
Net Charge0
Average Mass684.821
Monoisotopic Mass684.31554
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)C[C@]3([H])[C@H](C)/C=C/C(O[C@@H]3OC[C@@H](O)C(O)[C@@H]3O)C(C)C)[C@]1(O)C[C@@H](O)[C@@]1([H])C[C@@H](OS(=O)(=O)[O-])CC[C@]21C.[Na+]
InChIInChI=1S/C32H54O12S.Na/c1-16(2)24(43-29-27(37)26(36)23(35)15-42-29)7-6-17(3)19-13-21(33)28-31(19,5)11-9-25-30(4)10-8-18(44-45(39,40)41)12-20(30)22(34)14-32(25,28)38;/h6-7,16-29,33-38H,8-15H2,1-5H3,(H,39,40,41);/q;+1/p-1/b7-6+;/t17-,18+,19-,20-,21+,22-,23-,24?,25-,26?,27+,28-,29+,30+,31-,32+;/m1./s1
InChIKeyMBFUPVKKRMTACS-QHOLDLTMSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
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 B (CHEBI:188122) is a steroid saponin (CHEBI:61655)
IUPAC Name 
sodium;[(3S,5S,6R,8S,9R,10S,13R,14S,15S,17R)-6,8,15-trihydroxy-10,13-dimethyl-17-[(E,2R)-6-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyhept-3-en-2-yl]-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulate
Manual XrefsDatabases
LMST05050013LIPID MAPS