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CHEBI:229807 - certonardosterol m

ChEBI IDCHEBI:229807
ChEBI Namecertonardosterol m
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H50O6
Net Charge0
Average Mass482.702
Monoisotopic Mass482.36074
SMILESC[C@H](CO)[C@H](C)CC[C@@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)[C@H](O)[C@@H]3[C@@H](O)C[C@]12O
InChIInChI=1S/C28H50O6/c1-15(17(3)14-29)6-7-16(2)18-12-20(31)25-26(18,4)11-9-22-27(5)10-8-19(30)24(33)23(27)21(32)13-28(22,25)34/h15-25,29-34H,6-14H2,1-5H3/t15-,16-,17-,18-,19+,20-,21+,22-,23+,24+,25-,26-,27-,28+/m1/s1
InChIKeyQLEHTNPUVWZOQF-ZNCSQDSCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
certonardosterol m (CHEBI:229807) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,4R,5S,6S,8S,9R,10S,13R,14S,15R,17R)-17-[(2R,5R,6S)-7-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15-pentol
Manual XrefsDatabases
10258021ChemSpider