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CHEBI:187380 - Kurilensoside J

ChEBI IDCHEBI:187380
ChEBI NameKurilensoside J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H64O14
Net Charge0
Average Mass732.905
Monoisotopic Mass732.42961
SMILES[H][C@@]12[C@H](O)C[C@]3(O)[C@]([H])(CC[C@@]4(C)[C@@]3([H])[C@@H](O)C[C@]4([H])[C@H](C)CC[C@H](O[C@@H]3O[C@@H](O)C(O)C3O)C(C)C)[C@@]1(C)CC[C@H](O[C@@H]1OC[C@@H](O)C(O)C1OC)[C@@H]2O
InChIInChI=1S/C37H64O14/c1-16(2)22(49-33-29(44)28(43)32(45)51-33)8-7-17(3)18-13-19(38)31-35(18,4)12-10-24-36(5)11-9-23(27(42)25(36)20(39)14-37(24,31)46)50-34-30(47-6)26(41)21(40)15-48-34/h16-34,38-46H,7-15H2,1-6H3/t17-,18-,19+,20-,21-,22+,23+,24-,25+,26?,27+,28?,29?,30?,31-,32-,33-,34+,35-,36-,37+/m1/s1
InChIKeyKHUZIKFEVDFTLS-ISWDZEJHSA-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 J (CHEBI:187380) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(3S,4R,5S,6R,8S,9R,10S,13R,14S,15S,17R)-3-[(2S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy-10,13-dimethyl-17-[(2R,5S)-6-methyl-5-[(2R,5R)-3,4,5-trihydroxyoxolan-2-yl]oxyheptan-2-yl]-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-4,6,8,15-tetrol
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