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CHEBI:191450 - Petasalbin

ChEBI IDCHEBI:191450
ChEBI NamePetasalbin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILESCc1coc2c1C(O)C1(C)C(C)CCCC1C2
InChIInChI=1S/C15H22O2/c1-9-8-17-12-7-11-6-4-5-10(2)15(11,3)14(16)13(9)12/h8,10-11,14,16H,4-7H2,1-3H3
InChIKeyANKFPIBCTISOBX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Petasalbin (CHEBI:191450) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-4-ol
Manual XrefsDatabases
HMDB0035639HMDB
434155ChemSpider