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CHEBI:166763 - Evasterioside E

ChEBI IDCHEBI:166763
ChEBI NameEvasterioside E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H64O13
Net Charge0
Average Mass716.906
Monoisotopic Mass716.43469
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)C[C@]3([H])[C@H](C)CC[C@H](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](O[C@@H]3OC[C@@H](O)C(O)[C@@H]3O)CC[C@]21C
InChIInChI=1S/C37H64O13/c1-17(2)26(50-34-31(45)29(43)25(41)16-48-34)7-6-18(3)20-13-22(38)32-36(20,5)11-9-27-35(4)10-8-19(12-21(35)23(39)14-37(27,32)46)49-33-30(44)28(42)24(40)15-47-33/h17-34,38-46H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23-,24-,25-,26+,27-,28?,29?,30+,31+,32-,33+,34+,35+,36-,37+/m1/s1
InChIKeyRUJMEHNWWBTFFU-LHZQERGRSA-N
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 E (CHEBI:166763) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(2S,3S,5R)-2-[[(3S,5S,6R,8S,9R,10S,13R,14S,15S,17R)-6,8,15-trihydroxy-10,13-dimethyl-17-[(2R,5S)-6-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
Manual XrefsDatabases
LMST05050010LIPID MAPS