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CHEBI:191736 - Taraxasterone

Default Structure
ChEBI IDCHEBI:191736
ChEBI NameTaraxasterone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O
Net Charge0
Average Mass424.713
Monoisotopic Mass424.37052
SMILESC=C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1C
InChIInChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3
InChIKeyZYOCVAPRXVCQQR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Taraxasterone (CHEBI:191736) is a triterpenoid (CHEBI:36615)
IUPAC Name 
4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-2,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-one
Manual XrefsDatabases
35013796ChemSpider
HMDB0034919HMDB