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CHEBI:200247 - Trichodermadienediol A

ChEBI IDCHEBI:200247
ChEBI NameTrichodermadienediol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O6
Net Charge0
Average Mass404.503
Monoisotopic Mass404.21989
SMILESCC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\[C@H](O)[C@H](C)O)[C@@](C)(C34CO4)[C@@]2(C)CC1
InChIInChI=1S/C23H32O6/c1-14-9-10-21(3)17(11-14)28-19-12-18(22(21,4)23(19)13-27-23)29-20(26)8-6-5-7-16(25)15(2)24/h5-8,11,15-19,24-25H,9-10,12-13H2,1-4H3/b7-5+,8-6-/t15-,16-,17+,18+,19+,21-,22+,23?/m0/s1
InChIKeyMUIQEOKJENXWJC-FVMULYKESA-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)
Trichodermadienediol A (CHEBI:200247) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,7R,9R,11R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E,6S,7S)-6,7-dihydroxyocta-2,4-dienoate
Manual XrefsDatabases
78440073ChemSpider