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CHEBI:200250 - Verrucarin L

ChEBI IDCHEBI:200250
ChEBI NameVerrucarin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O9
Net Charge0
Average Mass500.544
Monoisotopic Mass500.20463
SMILESCC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\C(=O)OCC/C(C)=C/C(=O)OC[C@@]2(C[C@@H]1O)[C@]4(C)C31CO1
InChIInChI=1S/C27H32O9/c1-16-8-9-32-22(29)6-4-5-7-23(30)36-19-12-21-27(15-34-27)25(19,3)26(14-33-24(31)10-16)13-18(28)17(2)11-20(26)35-21/h4-7,10-11,18-21,28H,8-9,12-15H2,1-3H3/b6-4+,7-5-,16-10+/t18-,19+,20+,21+,25+,26+,27?/m0/s1
InChIKeyBOMPKFLFSCDGLF-RQKXQCBKSA-N
Species of MetaboliteComponentSourceComments
Myrothecium (ncbitaxon:5531) - DOI (10.1021/jo00345a044)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Verrucarin L (CHEBI:200250) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1R,3R,6S,8R,12E,18E,20Z,24R,25S)-6-hydroxy-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,17,22-trione
Manual XrefsDatabases
78440074ChemSpider