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CHEBI:175144 - Monoacetoxyscirpenol

ChEBI IDCHEBI:175144
ChEBI NameMonoacetoxyscirpenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O6
Net Charge0
Average Mass324.373
Monoisotopic Mass324.15729
SMILESCC(=O)OCC12CCC(C)=CC1OC1C(O)C(O)C2(C)C12CO2
InChIInChI=1S/C17H24O6/c1-9-4-5-16(7-21-10(2)18)11(6-9)23-14-12(19)13(20)15(16,3)17(14)8-22-17/h6,11-14,19-20H,4-5,7-8H2,1-3H3
InChIKeyIRXDUBNENLKYTC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Fusarium sambucinum (ncbitaxon:5128) - PubMed (946065)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Monoacetoxyscirpenol (CHEBI:175144) is a trichothecene (CHEBI:55517)
IUPAC Names 
(10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
[(1S,2R,7R,9R,10R,11S,12S)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Manual XrefsDatabases
380266ChemSpider
HMDB0035848HMDB
19975982ChemSpider