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CHEBI:169050 - 15-Deacetylneosolaniol

ChEBI IDCHEBI:169050
ChEBI Name15-Deacetylneosolaniol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O7
Net Charge0
Average Mass340.372
Monoisotopic Mass340.15220
SMILESCC(=O)OC1C(O)C2OC3C=C(C)C(O)CC3(CO)C1(C)C21CO1
InChIInChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)20)15(3)13(23-9(2)19)12(21)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3
InChIKeyCSYVMZMEBKUDRQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
15-Deacetylneosolaniol (CHEBI:169050) is a trichothecene (CHEBI:55517)
IUPAC Name 
[4,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate
Manual XrefsDatabases
8512756ChemSpider
HMDB0036157HMDB