EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:173206 - 20,24-Epoxy-25,26-dihydroxydammaran-3-one

ChEBI IDCHEBI:173206
ChEBI Name20,24-Epoxy-25,26-dihydroxydammaran-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O4
Net Charge0
Average Mass474.726
Monoisotopic Mass474.37091
SMILESCC(O)(CO)C1CCC(C)(C2CCC3(C)C2CCC2C4(C)CCC(=O)C(C)(C)C4CCC23C)O1
InChIInChI=1S/C30H50O4/c1-25(2)21-11-16-28(5)22(26(21,3)14-12-23(25)32)9-8-19-20(10-15-27(19,28)4)30(7)17-13-24(34-30)29(6,33)18-31/h19-22,24,31,33H,8-18H2,1-7H3
InChIKeyLBWOQWCMNAJNNC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
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)
20,24-Epoxy-25,26-dihydroxydammaran-3-one (CHEBI:173206) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
17-[5-(1,2-dihydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
HMDB0039692HMDB