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CHEBI:204619 - 13'-Acetyltrichoverrin B

ChEBI IDCHEBI:204619
ChEBI Name13'-Acetyltrichoverrin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H42O10
Net Charge0
Average Mass574.667
Monoisotopic Mass574.27780
SMILESCC(=O)O[C@H](C)[C@@H](O)/C=C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)CC[C@]3(COC(=O)/C=C(\C)CCO)[C@]1(C)[C@]21CO1
InChIInChI=1S/C31H42O10/c1-19-10-12-30(17-37-28(36)15-20(2)11-13-32)25(14-19)40-26-16-24(29(30,5)31(26)18-38-31)41-27(35)9-7-6-8-23(34)21(3)39-22(4)33/h6-9,14-15,21,23-26,32,34H,10-13,16-18H2,1-5H3/b8-6+,9-7-,20-15+/t21-,23+,24-,25-,26-,29-,30-,31+/m1/s1
InChIKeyGTTXCTOAXVFURA-KZZZNCCSSA-N
Species of MetaboliteComponentSourceComments
Albifimbria verrucaria (ncbitaxon:1859699) - PubMed (13678412)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
13'-Acetyltrichoverrin B (CHEBI:204619) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,7R,9R,11R,12S)-2-[[(E)-5-hydroxy-3-methylpent-2-enoyl]oxymethyl]-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E,6S,7R)-7-acetyloxy-6-hydroxyocta-2,4-dienoate
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