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CHEBI:186822 - Kurilensoside H

ChEBI IDCHEBI:186822
ChEBI NameKurilensoside H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H54O11
Net Charge0
Average Mass614.773
Monoisotopic Mass614.36661
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@@]3(C)CC[C@H](O[C@@H]4OC[C@@H](O)C(O)[C@@H]4O)[C@]4([H])O[C@]34[C@H](O)C[C@]12O
InChIInChI=1S/C32H54O11/c1-15(13-33)6-5-7-16(2)21-23(37)24(38)26-29(21,3)10-9-19-30(4)11-8-18(42-28-25(39)22(36)17(34)14-41-28)27-32(30,43-27)20(35)12-31(19,26)40/h15-28,33-40H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22?,23+,24-,25-,26+,27-,28-,29+,30+,31-,32-/m0/s1
InChIKeySOVMHZODGWLPJC-MTTQTYBGSA-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 H (CHEBI:186822) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(1R,2R,5S,6S,8S,9R,11S,12S,13R,14R,15R,16R)-15-[(2R,6S)-7-hydroxy-6-methylheptan-2-yl]-2,16-dimethyl-5-[(2S,3S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecane-9,11,13,14-tetrol
Manual XrefsDatabases
LMST05050017LIPID MAPS