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CHEBI:215496 - Virescenoside R

ChEBI IDCHEBI:215496
ChEBI NameVirescenoside R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H52O13
Net Charge0
Average Mass644.755
Monoisotopic Mass644.34079
SMILESC=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)C[C@@H](O)[C@H](O)[C@]3(C)CO[C@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C1
InChIInChI=1S/C32H52O13/c1-5-30(2)9-8-16-15(10-30)6-7-20-31(16,3)11-17(34)27(41)32(20,4)14-43-29-26(40)24(38)22(36)19(45-29)13-42-28-25(39)23(37)21(35)18(12-33)44-28/h5-6,16-29,33-41H,1,7-14H2,2-4H3/t16-,17+,18+,19+,20+,21+,22+,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+/m0/s1
InChIKeyQLNIKMOZYWMKSZ-GKSJISOCSA-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 R (CHEBI:215496) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(2R,3S,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[[(1S,2R,3R,4aR,4bS,7S,10aR)-7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-1-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
78440494ChemSpider