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CHEBI:201500 - T-2 Tetraol

ChEBI IDCHEBI:201500
ChEBI NameT-2 Tetraol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O6
Net Charge0
Average Mass298.335
Monoisotopic Mass298.14164
SMILESCC1=CC2OC3C(O)C(O)C(C)(C2(CO)CC1O)C31CO1
InChIInChI=1S/C15H22O6/c1-7-3-9-14(5-16,4-8(7)17)13(2)11(19)10(18)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3
InChIKeyZAXZBJSXSOISTF-UHFFFAOYSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
T-2 Tetraol (CHEBI:201500) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1S,2R,4S,7R,9R,10R,11S,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4,10,11-triol
Manual XrefsDatabases
8079985ChemSpider