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CHEBI:172067 - Cepagenin

Default Structure
ChEBI IDCHEBI:172067
ChEBI NameCepagenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O5
Net Charge0
Average Mass446.628
Monoisotopic Mass446.30322
SMILESCC1COC2(CC1O)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C
InChIInChI=1S/C27H42O5/c1-14-13-31-27(12-21(14)29)15(2)24-22(32-27)11-20-18-6-5-16-9-17(28)10-23(30)26(16,4)19(18)7-8-25(20,24)3/h5,14-15,17-24,28-30H,6-13H2,1-4H3
InChIKeyMHNJMWLWHYJLNF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Cepagenin (CHEBI:172067) is a triterpenoid (CHEBI:36615)
IUPAC Name 
5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-4',14,16-triol
Manual XrefsDatabases
HMDB0030913HMDB