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CHEBI:220030 - WF11605

ChEBI IDCHEBI:220030
ChEBI NameWF11605
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H60O11
Net Charge0
Average Mass692.887
Monoisotopic Mass692.41356
SMILESCC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1(C)CC(=O)[C@](C)([C@H](C)C(C)C)[C@@H](C(=O)O)[C@]1(C)CC3
InChIInChI=1S/C38H60O11/c1-18(2)19(3)38(10)26(41)16-37(9)22-11-12-25-34(5,6)31(49-33-29(44)28(43)27(42)24(17-39)48-33)23(47-20(4)40)15-35(25,7)21(22)13-14-36(37,8)30(38)32(45)46/h18-19,23-25,27-31,33,39,42-44H,11-17H2,1-10H3,(H,45,46)/t19-,23-,24-,25+,27-,28+,29-,30+,31+,33+,35-,36+,37-,38+/m1/s1
InChIKeyFBAPXRMZLULGNA-TVJNVOSNSA-N
Species of MetaboliteComponentSourceComments
Chaetomiumspecies (ncbitaxon:1769349) - PubMed (1320602)
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)
WF11605 (CHEBI:220030) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(1S,2R,4aS,6aR,8R,9R,10aS,12aS)-9-acetyloxy-2,4a,7,7,10a,12a-hexamethyl-2-[(2R)-3-methylbutan-2-yl]-3-oxo-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,5,6,6a,8,9,10,11,12-decahydrochrysene-1-carboxylic acid
Manual XrefsDatabases
8253932ChemSpider