EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:191848 - 28-Hydroxy-14-taraxeren-3-one

ChEBI IDCHEBI:191848
ChEBI Name28-Hydroxy-14-taraxeren-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILESCC1(C)CCC2(CO)CC=C3C(C)(CCC4C3(C)CCC3C(C)(C)C(=O)CCC34C)C2C1
InChIInChI=1S/C30H48O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23,31H,8-9,11-19H2,1-7H3
InChIKeyYZWJBLKYECYVAO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
28-Hydroxy-14-taraxeren-3-one (CHEBI:191848) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name 
8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
Manual XrefsDatabases
35014351ChemSpider
HMDB0037033HMDB