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CHEBI:216625 - Virescenoside S

ChEBI IDCHEBI:216625
ChEBI NameVirescenoside S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O8
Net Charge0
Average Mass480.598
Monoisotopic Mass480.27232
SMILESC=C[C@]1(C)C=C2[C@H](O)C[C@@H]3[C@](C)(CCC(=O)[C@]3(C)CO[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2CC1
InChIInChI=1S/C26H40O8/c1-5-24(2)8-6-15-14(11-24)16(28)10-18-25(15,3)9-7-19(29)26(18,4)13-33-23-22(32)21(31)20(30)17(12-27)34-23/h5,11,15-18,20-23,27-28,30-32H,1,6-10,12-13H2,2-4H3/t15-,16+,17+,18+,20+,21+,22-,23+,24-,25+,26+/m0/s1
InChIKeyYGCDMFKITFIOIB-GHSLUPDCSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (15217294)
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)
Virescenoside S (CHEBI:216625) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(1S,4aR,4bR,7R,9R,10aR)-7-ethenyl-9-hydroxy-1,4a,7-trimethyl-1-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4b,5,6,9,10,10a-octahydrophenanthren-2-one
Manual XrefsDatabases
10192726ChemSpider