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CHEBI:175521 - Manglupenone

Default Structure
ChEBI IDCHEBI:175521
ChEBI NameManglupenone
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SubmitterMetaboLights
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FormulaC30H44O2
Net Charge0
Average Mass436.680
Monoisotopic Mass436.33413
SMILESC=C(CO)C1CCC2(C)CCC3(C)C(=CCC4C5(C)C=CC(=O)C(C)(C)C5CCC43C)C12
InChIInChI=1S/C30H44O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h8,12,14,20,22-23,25,31H,1,9-11,13,15-18H2,2-7H3
InChIKeyZQIULKXWJGSFAC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Manglupenone (CHEBI:175521) is a triterpenoid (CHEBI:36615)
IUPAC Name 
1-(3-hydroxyprop-1-en-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,11b,12,13b-decahydro-1H-cyclopenta[a]chrysen-9-one
Manual XrefsDatabases
HMDB0030395HMDB