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CHEBI:172679 - 3'-Hydroxy-HT2 toxin

ChEBI IDCHEBI:172679
ChEBI Name3'-Hydroxy-HT2 toxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O9
Net Charge0
Average Mass440.489
Monoisotopic Mass440.20463
SMILESCC(=O)OCC12CC(OC(=O)CC(C)(C)O)C(C)=CC1OC1C(O)C(O)C2(C)C12CO2
InChIInChI=1S/C22H32O9/c1-11-6-14-21(9-28-12(2)23,7-13(11)30-15(24)8-19(3,4)27)20(5)17(26)16(25)18(31-14)22(20)10-29-22/h6,13-14,16-18,25-27H,7-10H2,1-5H3
InChIKeyOJBCMLLFVXXDGS-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)
3'-Hydroxy-HT2 toxin (CHEBI:172679) is a trichothecene (CHEBI:55517)
IUPAC Name 
[2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-hydroxy-3-methylbutanoate
Manual XrefsDatabases
HMDB0036162HMDB
35014108ChemSpider