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CHEBI:185981 - Kurilensoside F

ChEBI IDCHEBI:185981
ChEBI NameKurilensoside F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H58O11
Net Charge0
Average Mass630.816
Monoisotopic Mass630.39791
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(O)CC[C@]12O
InChIInChI=1S/C33H58O11/c1-17(15-34)7-6-8-18(2)22-24(37)25(38)27-30(22,3)11-10-21-31(4)12-9-20(28(39)33(31,41)14-13-32(21,27)40)44-29-26(42-5)23(36)19(35)16-43-29/h17-29,34-41H,6-16H2,1-5H3/t17-,18+,19+,20-,21+,22-,23?,24+,25-,26-,27+,28-,29-,30+,31+,32-,33+/m0/s1
InChIKeySFKLBZDYZMNXCK-OHVRGURYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Kurilensoside F (CHEBI:185981) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,4S,5S,8S,9R,10R,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-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4,5,8,15,16-pentol
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