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CHEBI:191505 - Petasitin

ChEBI IDCHEBI:191505
ChEBI NamePetasitin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC/C=C(\C)C(=O)OC1CCC2=CC(=O)C(C(C)(C)O)=CC2(C)C1C
InChIInChI=1S/C20H28O4/c1-7-12(2)18(22)24-17-9-8-14-10-16(21)15(19(4,5)23)11-20(14,6)13(17)3/h7,10-11,13,17,23H,8-9H2,1-6H3/b12-7+
InChIKeyITHGBLBTVGSKLJ-KPKJPENVSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Petasitin (CHEBI:191505) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[7-(2-hydroxypropan-2-yl)-1,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl] (E)-2-methylbut-2-enoate
Manual XrefsDatabases
HMDB0035637HMDB
35013964ChemSpider