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CHEBI:175141 - 3-Acetoxyscirpene-4,15-diol

ChEBI IDCHEBI:175141
ChEBI Name3-Acetoxyscirpene-4,15-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O6
Net Charge0
Average Mass324.373
Monoisotopic Mass324.15729
SMILES[H][C@@]12C=C(C)CC[C@]1(CO)[C@@]1(C)[C@H](O)[C@@H](OC(C)=O)[C@@]([H])(O2)[C@@]12CO2
InChIInChI=1S/C17H24O6/c1-9-4-5-16(7-18)11(6-9)23-14-12(22-10(2)19)13(20)15(16,3)17(14)8-21-17/h6,11-14,18,20H,4-5,7-8H2,1-3H3/t11-,12-,13-,14-,15-,16-,17+/m1/s1
InChIKeyNFFRTZSZVQIMDJ-OINWIYPRSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
3-Acetoxyscirpene-4,15-diol (CHEBI:175141) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,7R,9R,10R,11S,12S)-11-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate
Manual XrefsDatabases
137034ChemSpider
Registry NumbersSources
CAS:70402-13-0ChemIDplus