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CHEBI:229830 - torvoside g

ChEBI IDCHEBI:229830
ChEBI Nametorvoside g
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H56O9
Net Charge0
Average Mass608.813
Monoisotopic Mass608.39243
SMILESCO[C@]1(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C
InChIInChI=1S/C34H56O9/c1-18(17-41-31-30(39)29(38)28(37)26(16-35)42-31)8-13-34(40-5)19(2)27-25(43-34)15-24-22-7-6-20-14-21(36)9-11-32(20,3)23(22)10-12-33(24,27)4/h18-20,22-31,35,37-39H,6-17H2,1-5H3/t18-,19-,20-,22+,23-,24-,25-,26+,27-,28+,29-,30+,31+,32-,33-,34+/m0/s1
InChIKeyBDENGJXHUIIQRH-IQAJSEAWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
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)
torvoside g (CHEBI:229830) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(1R,2S,4S,6R,7S,8R,9S,12S,13S,18S)-6-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-one
Manual XrefsDatabases
103882669ChemSpider