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CHEBI:175767 - 4-Propanoyl-HT2 toxin

ChEBI IDCHEBI:175767
ChEBI Name4-Propanoyl-HT2 toxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O9
Net Charge0
Average Mass480.554
Monoisotopic Mass480.23593
SMILESCCC(=O)OC1C(O)C2OC3C=C(C)C(OC(=O)CC(C)C)CC3(COC(C)=O)C1(C)C21CO1
InChIInChI=1S/C25H36O9/c1-7-18(27)34-21-20(29)22-25(12-31-25)23(21,6)24(11-30-15(5)26)10-16(14(4)9-17(24)33-22)32-19(28)8-13(2)3/h9,13,16-17,20-22,29H,7-8,10-12H2,1-6H3
InChIKeyHHSVPRXLNYVHLR-UHFFFAOYSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
4-Propanoyl-HT2 toxin (CHEBI:175767) is a trichothecene (CHEBI:55517)
IUPAC Name 
[2-(acetyloxymethyl)-10-hydroxy-1,5-dimethyl-11-propanoyloxyspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
Manual XrefsDatabases
HMDB0036161HMDB
35014107ChemSpider