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CHEBI:198604 - Tricholomenyn A

ChEBI IDCHEBI:198604
ChEBI NameTricholomenyn A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O4
Net Charge0
Average Mass300.354
Monoisotopic Mass300.13616
SMILESC=C(C#CC1=C[C@@H](OC(C)=O)[C@@H]2O[C@@H]2C1=O)CCC=C(C)C
InChIInChI=1S/C18H20O4/c1-11(2)6-5-7-12(3)8-9-14-10-15(21-13(4)19)17-18(22-17)16(14)20/h6,10,15,17-18H,3,5,7H2,1-2,4H3/t15-,17+,18-/m1/s1
InChIKeyUDBAGMPPKFTSPW-BPQIPLTHSA-N
Species of MetaboliteComponentSourceComments
Tricholoma acerbum (ncbitaxon:181706) - DOI (10.1016/0040-4039(95)01033-E)
ChEBI Ontology
Outgoing Relation(s)
Tricholomenyn A (CHEBI:198604) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
[(1S,2R,6S)-4-(7-methyl-3-methylideneoct-6-en-1-ynyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl] acetate
Manual XrefsDatabases
8532890ChemSpider