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CHEBI:187394 - Kurilensoside G

ChEBI IDCHEBI:187394
ChEBI NameKurilensoside G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H54O10
Net Charge0
Average Mass598.774
Monoisotopic Mass598.37170
SMILES[H][C@]1([C@H](C)CCC[C@H](C)CO)[C@@H](O)[C@H](O)[C@]2([H])[C@]1(C)CC[C@@]1([H])[C@@]2(O)CC=C2[C@@H](O)[C@@H](O[C@@H]3OC[C@@H](O)C(O)[C@@H]3O)CC[C@@]21C
InChIInChI=1S/C32H54O10/c1-16(14-33)6-5-7-17(2)22-25(37)26(38)28-31(22,4)12-10-21-30(3)11-9-20(23(35)18(30)8-13-32(21,28)40)42-29-27(39)24(36)19(34)15-41-29/h8,16-17,19-29,33-40H,5-7,9-15H2,1-4H3/t16-,17+,19+,20-,21+,22-,23+,24?,25+,26-,27-,28+,29-,30-,31+,32-/m0/s1
InChIKeyBAPIUISJCSENCQ-IMMOWDRRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
Kurilensoside G (CHEBI:187394) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(3S,4R,8S,9R,10R,13R,14S,15R,16R,17R)-17-[(2R,6S)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-3-[(2S,3S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4,8,15,16-tetrol
Manual XrefsDatabases
LMST05050016LIPID MAPS