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CHEBI:184115 - Verrucarin j

ChEBI IDCHEBI:184115
ChEBI NameVerrucarin j
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O8
Net Charge0
Average Mass484.545
Monoisotopic Mass484.20972
SMILES[H][C@@]12C=C(C)CC[C@@]13COC(=O)/C=C(\C)CCOC(=O)/C=C/C=C\C(=O)O[C@]1([H])C[C@@]([H])(O2)[C@@]2(CO2)[C@@]31C
InChIInChI=1S/C27H32O8/c1-17-8-10-26-15-32-24(30)13-18(2)9-11-31-22(28)6-4-5-7-23(29)35-19-14-21(34-20(26)12-17)27(16-33-27)25(19,26)3/h4-7,12-13,19-21H,8-11,14-16H2,1-3H3/b6-4+,7-5-,18-13+/t19-,20-,21-,25-,26-,27+/m1/s1
InChIKeyGXCGYHWSYNQVHU-GYDJLPFWSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Verrucarin j (CHEBI:184115) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1R,3R,8R,12E,18E,20Z,24R,25S,26S)-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
10210057ChemSpider