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CHEBI:67590 - fruticoside G

ChEBI IDCHEBI:67590
ChEBI Namefruticoside G
Stars
DefinitionA steroid saponin that is 4-methylstigmasta-7,24(28)-diene-21-thioic S-acid attached to an α-L-quinovopyranosyloxy group at position 3 (the 3β,4α,5α,24Z stereoisomer). It has been isolated from the roots of Breynia fruticosa.
Last Modified5 December 2013
DownloadsMolfile
FormulaC36H58O6S
Net Charge0
Average Mass618.921
Monoisotopic Mass618.39541
SMILES[H][C@@]12CC[C@]([H])([C@@H](CC/C(=C/C)C(C)C)C(=O)S)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])[C@H](C)[C@@]([H])(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@]12C
InChIInChI=1S/C36H58O6S/c1-8-22(19(2)3)9-10-24(33(40)43)27-14-13-26-23-11-12-25-20(4)29(42-34-32(39)31(38)30(37)21(5)41-34)16-18-35(25,6)28(23)15-17-36(26,27)7/h8,11,19-21,24-32,34,37-39H,9-10,12-18H2,1-7H3,(H,40,43)/b22-8-/t20-,21-,24+,25-,26-,27+,28-,29-,30-,31+,32-,34-,35-,36-/m0/s1
InChIKeyAUQOSBIEPMUBCQ-TVZJVHHSSA-N
Species of MetaboliteComponentSourceComments
Breynia fruticosa (ncbitaxon:296042) root (BTO:0001188) PubMed (21428418) 90% Methanolic extract of air-dried, crushed roots.
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
fruticoside G (CHEBI:67590) has role metabolite (CHEBI:25212)
fruticoside G (CHEBI:67590) has role plant metabolite (CHEBI:76924)
fruticoside G (CHEBI:67590) is a deoxyglucose derivative (CHEBI:63344)
fruticoside G (CHEBI:67590) is a monosaccharide derivative (CHEBI:63367)
fruticoside G (CHEBI:67590) is a monothiocarboxylic acid (CHEBI:35737)
fruticoside G (CHEBI:67590) is a steroid acid (CHEBI:47891)
fruticoside G (CHEBI:67590) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(3β,4α,5α,24Z)-3-[(6-deoxy-α-L-glucopyranosyl)oxy]-4-methylstigmasta-7,24(28)-diene-21-thioic S-acid
Synonym  Source
4α-methyl-5α-stigmast-7,24(28)-diene-21-carbothioic acid-3β-O-α-L-quinovopyranosideChEBI
Registry NumbersSources
Reaxys:21553372Reaxys
Citations