EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:172720 - Acetyl-T2 Toxin

ChEBI IDCHEBI:172720
ChEBI NameAcetyl-T2 Toxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O10
Net Charge0
Average Mass508.564
Monoisotopic Mass508.23085
SMILESCC(=O)OCC12CC(OC(=O)CC(C)C)C(C)=CC1OC1C(OC(C)=O)C(OC(C)=O)C2(C)C12CO2
InChIInChI=1S/C26H36O10/c1-13(2)8-20(30)35-18-10-25(11-31-15(4)27)19(9-14(18)3)36-23-21(33-16(5)28)22(34-17(6)29)24(25,7)26(23)12-32-26/h9,13,18-19,21-23H,8,10-12H2,1-7H3
InChIKeyNOTOVTQRFFVBSB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Acetyl-T2 Toxin (CHEBI:172720) is a trichothecene (CHEBI:55517)
IUPAC Name 
[10,11-diacetyloxy-2-(acetyloxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
Manual XrefsDatabases
HMDB0033164HMDB
475342ChemSpider