EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:224298 - Verrol

ChEBI IDCHEBI:224298
ChEBI NameVerrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O6
Net Charge0
Average Mass378.465
Monoisotopic Mass378.20424
SMILESCC1=C[C@H]2O[C@@H]3C[C@@H](O)[C@](C)([C@@]2(COC(=O)/C=C(\C)CCO)CC1)[C@]31CO1
InChIInChI=1S/C21H30O6/c1-13-4-6-20(11-25-18(24)9-14(2)5-7-22)16(8-13)27-17-10-15(23)19(20,3)21(17)12-26-21/h8-9,15-17,22-23H,4-7,10-12H2,1-3H3/b14-9+/t15-,16-,17-,19-,20-,21+/m1/s1
InChIKeyPZTXWUDHQJHJOJ-LJQLBOGDSA-N
Species of MetaboliteComponentSourceComments
Albifimbria verrucaria (ncbitaxon:1859699) - DOI (10.1021/jo00163a031)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Verrol (CHEBI:224298) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,7R,9R,11R,12S)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl (E)-5-hydroxy-3-methylpent-2-enoate
Manual XrefsDatabases
4944996ChemSpider