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CHEBI:215464 - Trichoverrin A

ChEBI IDCHEBI:215464
ChEBI NameTrichoverrin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O9
Net Charge0
Average Mass532.630
Monoisotopic Mass532.26723
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(COC(=O)/C=C(\C)CCO)CC1
InChIInChI=1S/C29H40O9/c1-18-9-11-28(16-35-26(34)14-19(2)10-12-30)23(13-18)37-24-15-22(27(28,4)29(24)17-36-29)38-25(33)8-6-5-7-21(32)20(3)31/h5-8,13-14,20-24,30-32H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14+/t20-,21-,22+,23+,24+,27+,28+,29?/m0/s1
InChIKeySYKUAMFXVHJZSH-SQCVMRRPSA-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)
Trichoverrin A (CHEBI:215464) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,7R,9R,11R)-2-[[(E)-5-hydroxy-3-methylpent-2-enoyl]oxymethyl]-1,5-dimethylspiro[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
78440264ChemSpider