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CHEBI:203855 - Verrol 4-acetate

ChEBI IDCHEBI:203855
ChEBI NameVerrol 4-acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O7
Net Charge0
Average Mass420.502
Monoisotopic Mass420.21480
SMILESCC(=O)O[C@@H]1C[C@H]2OC3C=C(C)CCC3(COC(=O)/C=C(\C)CCO)[C@]1(C)C21CO1
InChIInChI=1S/C23H32O7/c1-14-5-7-22(12-27-20(26)10-15(2)6-8-24)18(9-14)30-19-11-17(29-16(3)25)21(22,4)23(19)13-28-23/h9-10,17-19,24H,5-8,11-13H2,1-4H3/b15-10+/t17-,18?,19-,21-,22?,23?/m1/s1
InChIKeyRMSNSMQSVVPVHV-NCIZUERJSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (10705737)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Verrol 4-acetate (CHEBI:203855) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,9R,11R)-11-acetyloxy-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
10478913ChemSpider