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CHEBI:201447 - T2 Toxin Triol

ChEBI IDCHEBI:201447
ChEBI NameT2 Toxin Triol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O7
Net Charge0
Average Mass382.453
Monoisotopic Mass382.19915
SMILESCC1=CC2OC3C(O)C(O)C(C)(C2(CO)CC1OC(=O)CC(C)C)C31CO1
InChIInChI=1S/C20H30O7/c1-10(2)5-14(22)26-12-7-19(8-21)13(6-11(12)3)27-17-15(23)16(24)18(19,4)20(17)9-25-20/h6,10,12-13,15-17,21,23-24H,5,7-9H2,1-4H3
InChIKeyDDAUKBBLCGQHIP-UHFFFAOYSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
T2 Toxin Triol (CHEBI:201447) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,4S,7R,9R,10R,11S,12S)-10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
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10216229ChemSpider