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CHEBI:204693 - Virescenoside R3

ChEBI IDCHEBI:204693
ChEBI NameVirescenoside R3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54O13
Net Charge0
Average Mass658.782
Monoisotopic Mass658.35644
SMILESC=C[C@@]1(C)CC[C@@]2(C)C(=CC[C@H]3[C@@](C)(CO[C@@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@H](O)C[C@@]32C)C1
InChIInChI=1S/C33H54O13/c1-6-30(2)9-10-32(4)16(11-30)7-8-20-31(3,27(42)17(35)12-33(20,32)5)15-44-29-26(41)24(39)22(37)19(46-29)14-43-28-25(40)23(38)21(36)18(13-34)45-28/h6-7,17-29,34-42H,1,8-15H2,2-5H3/t17-,18-,19-,20+,21-,22-,23+,24-,25-,26+,27+,28+,29-,30+,31-,32+,33+/m1/s1
InChIKeyBCJWMXDKQZDJOV-HDXZBMLESA-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 R3 (CHEBI:204693) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5S,6R)-6-[[(1S,2R,3R,4aS,4bS,7S,10aR)-7-ethenyl-2,3-dihydroxy-1,4a,4b,7-tetramethyl-2,3,4,5,6,8,10,10a-octahydrophenanthren-1-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
78440193ChemSpider