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CHEBI:197080 - Kurilensoside E

ChEBI IDCHEBI:197080
ChEBI NameKurilensoside E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H58O10
Net Charge0
Average Mass614.817
Monoisotopic Mass614.40300
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]4OC)[C@H](O)[C@]3([H])CC[C@]12O
InChIInChI=1S/C33H58O10/c1-17(15-34)7-6-8-18(2)23-26(38)27(39)29-32(23,4)13-11-22-31(3)12-10-21(24(36)19(31)9-14-33(22,29)40)43-30-28(41-5)25(37)20(35)16-42-30/h17-30,34-40H,6-16H2,1-5H3/t17-,18+,19-,20+,21-,22+,23-,24+,25?,26+,27-,28-,29+,30-,31-,32+,33-/m0/s1
InChIKeyQBIRGSQUIWXGOQ-HABUKRPKSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
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 E (CHEBI:197080) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(3S,4R,5R,8S,9R,10S,13R,14S,15R,16R,17R)-3-[(2S,3S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy-17-[(2R,6S)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-4,8,15,16-tetrol
Manual XrefsDatabases
LMST05050014LIPID MAPS