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CHEBI:173204 - Leontogenin

ChEBI IDCHEBI:173204
ChEBI NameLeontogenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O5
Net Charge0
Average Mass446.628
Monoisotopic Mass446.30322
SMILESCC1CCC2(OC1)OC1CC3C4C(CCC3(C)C1C2C)C1(C)CCC(O)CC1(O)C4C=O
InChIInChI=1S/C27H42O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)11-19-22-18(7-8-24(19,23)3)25(4)9-6-17(29)12-26(25,30)20(22)13-28/h13,15-23,29-30H,5-12,14H2,1-4H3
InChIKeyGKGKOBNJESCNOE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
Leontogenin (CHEBI:173204) is a ketal (CHEBI:59777)
IUPAC Name 
16,18-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.7.0.02,9.04,8.013,18]nonadecane-6,2'-oxane]-19-carbaldehyde
Manual XrefsDatabases
HMDB0033583HMDB
35013634ChemSpider