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CHEBI:214807 - 15-acetyltrichoverrol B

ChEBI IDCHEBI:214807
ChEBI Name15-acetyltrichoverrol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O8
Net Charge0
Average Mass462.539
Monoisotopic Mass462.22537
SMILESCC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1C[C@@H](OC(=O)/C=C\C=C\[C@H](O)[C@@H](C)O)[C@@]2(C)[C@]12CO2
InChIInChI=1S/C25H34O8/c1-15-9-10-24(13-30-17(3)27)20(11-15)32-21-12-19(23(24,4)25(21)14-31-25)33-22(29)8-6-5-7-18(28)16(2)26/h5-8,11,16,18-21,26,28H,9-10,12-14H2,1-4H3/b7-5+,8-6-/t16-,18+,19-,20-,21-,23-,24-,25+/m1/s1
InChIKeyFFJSMYMACVZXPZ-IXVNUFLBSA-N
Species of MetaboliteComponentSourceComments
Myrothecium (ncbitaxon:5531) - DOI (10.1002/hlca.201500088)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
15-acetyltrichoverrol B (CHEBI:214807) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,7R,9R,11R,12S)-2-(acetyloxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E,6S,7R)-6,7-dihydroxyocta-2,4-dienoate
Manual XrefsDatabases
78441337ChemSpider