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CHEBI:198744 - Virescenoside R2

ChEBI IDCHEBI:198744
ChEBI NameVirescenoside R2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O14
Net Charge0
Average Mass658.738
Monoisotopic Mass658.32006
SMILESC=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(C[C@@H](O)[C@H](O)[C@]3(C)CO[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2CC1
InChIInChI=1S/C32H50O14/c1-5-30(2)7-6-15-14(9-30)16(34)8-20-31(15,3)10-17(35)27(42)32(20,4)13-44-29-26(41)24(39)22(37)19(46-29)12-43-28-25(40)23(38)21(36)18(11-33)45-28/h5,9,15,17-29,33,35-42H,1,6-8,10-13H2,2-4H3/t15-,17+,18+,19+,20+,21+,22+,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+/m0/s1
InChIKeyLYJQMFCBONDGBM-UJWDYCCDSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - DOI (10.1016/j.phytol.2015.11.010)
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 R2 (CHEBI:198744) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(1S,2R,3R,4aS,4bR,7R,10aR)-7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-1-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one
Manual XrefsDatabases
78440024ChemSpider