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CHEBI:202978 - Virescenoside R1

Default Structure
ChEBI IDCHEBI:202978
ChEBI NameVirescenoside R1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O13
Net Charge0
Average Mass642.739
Monoisotopic Mass642.32514
SMILESC=C[C@]1(C)C=C2C=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/C32H50O13/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/h5-7,10,16-29,33-41H,1,8-9,11-14H2,2-4H3/t16-,17+,18+,19+,20+,21+,22+,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+/m0/s1
InChIKeyIAJMJDCUKLCZIS-UQFPQHCWSA-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 R1 (CHEBI:202978) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5S,6R)-6-[[(1S,2R,3R,4aR,4bR,7R,10aR)-7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-3,4,4b,5,6,10a-hexahydro-2H-phenanthren-1-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
78440147ChemSpider