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CHEBI:230834 - Myotoxin A

ChEBI IDCHEBI:230834
ChEBI NameMyotoxin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O9
Net Charge0
Average Mass530.614
Monoisotopic Mass530.25158
SMILESCC1=CC2OC3CC4OC(=O)/C=C/C=C/C(C(C)O)OCC(O)C(C)=CC(=O)OCC2(CC1)C4(C)C31CO1
InChIInChI=1S/C29H38O9/c1-17-9-10-28-15-35-26(33)12-18(2)20(31)14-34-21(19(3)30)7-5-6-8-25(32)38-22-13-24(37-23(28)11-17)29(16-36-29)27(22,28)4/h5-8,11-12,19-24,30-31H,9-10,13-16H2,1-4H3/b7-5+,8-6+,18-12?
InChIKeyXHEPXCWCOGMKMI-BKEOKNCFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Myotoxin A (CHEBI:230834) is a trichothecene (CHEBI:55517)
IUPAC Name 
(18E,20E)-14-hydroxy-17-(1-hydroxyethyl)-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]-11,22-dione