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CHEBI:67826 - taraxerone

ChEBI IDCHEBI:67826
ChEBI Nametaraxerone
Stars
DefinitionA natural product found in Cupania cinerea.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H48O
Net Charge0
Average Mass424.713
Monoisotopic Mass424.37052
SMILES[H][C@]12CC[C@]3(C)C(=CC[C@@]4(C)CCC(C)(C)C[C@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
InChIInChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20-,22+,23+,27-,28-,29-,30+/m0/s1
InChIKeyDBCAVZSSFGIHQZ-YLAYQGCQSA-N
Species of MetaboliteComponentSourceComments
Cupania cinerea (ncbitaxon:298314) bark (BTO:0001301) PubMed (21438586) Crude n-hexane extract of dried and powdered bark
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)
taraxerone (CHEBI:67826) has role metabolite (CHEBI:25212)
taraxerone (CHEBI:67826) is a scalarane sesterterpenoid (CHEBI:59370)
Synonym  Source
D-Friedoolean-14-en-3-oneChEBI
Registry NumbersSources
CAS:514-07-8ChemIDplus
Citations