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CHEBI:204491 - (S)-7-hydroxytrichothecolone acetate

ChEBI IDCHEBI:204491
ChEBI Name(S)-7-hydroxytrichothecolone acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O6
Net Charge0
Average Mass322.357
Monoisotopic Mass322.14164
SMILESCC(=O)OC1CC2OC3C=C(C)C(=O)[C@@H](O)[C@]3(C)[C@]1(C)[C@]21CO1
InChIInChI=1S/C17H22O6/c1-8-5-10-15(3,14(20)13(8)19)16(4)11(22-9(2)18)6-12(23-10)17(16)7-21-17/h5,10-12,14,20H,6-7H2,1-4H3/t10?,11?,12?,14-,15-,16-,17+/m1/s1
InChIKeyKREVUFSFWPJIEJ-SZMDFIDCSA-N
Species of MetaboliteComponentSourceComments
Microcyclospora tardicrescens (ncbitaxon:766056) - PubMed (24697667)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
(S)-7-hydroxytrichothecolone acetate (CHEBI:204491) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2S,3S,12S)-3-hydroxy-1,2,5-trimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate
Manual XrefsDatabases
78443734ChemSpider