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CHEBI:190150 - Mangiferdesmethylursanone

ChEBI IDCHEBI:190150
ChEBI NameMangiferdesmethylursanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O2
Net Charge0
Average Mass428.701
Monoisotopic Mass428.36543
SMILESCC1C(O)CCC2(C)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C12
InChIInChI=1S/C29H48O2/c1-18-20(30)10-13-26(4)16-17-28(6)19(24(18)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h18-22,24,30H,8-17H2,1-7H3
InChIKeyKUBDEHGZXKPATK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) Serum (BTO:0000133) MetaboLights (MTBLS4478)
ChEBI Ontology
Outgoing Relation(s)
Mangiferdesmethylursanone (CHEBI:190150) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
11-hydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-1,2,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydropicen-3-one
Manual XrefsDatabases
HMDB0036018HMDB
35014068ChemSpider