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CHEBI:228528 - Verrucarol

ChEBI IDCHEBI:228528
ChEBI NameVerrucarol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILES[H][C@@]12C=C(C)CC[C@]1(CO)[C@@]1(C)[C@H](O)C[C@@]([H])(O2)[C@@]12CO2
InChIInChI=1S/C15H22O4/c1-9-3-4-14(7-16)11(5-9)19-12-6-10(17)13(14,2)15(12)8-18-15/h5,10-12,16-17H,3-4,6-8H2,1-2H3/t10-,11-,12-,13-,14-,15+/m1/s1
InChIKeyZSRVBNXAPSQDFY-OJVARPOJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Verrucarol (CHEBI:228528) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1S,2R,7R,9R,11R,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol
Manual XrefsDatabases
8214117ChemSpider