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CHEBI:212468 - Trichoverrin C

ChEBI IDCHEBI:212468
ChEBI NameTrichoverrin C
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)([C@@]2(COC(=O)C/C(C)=C/CO)CC1)[C@]31CO1
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/h5-8,10,13,20-24,30-32H,9,11-12,14-17H2,1-4H3/b7-5+,8-6-,19-10+/t20-,21-,22-,23-,24-,27-,28-,29+/m1/s1
InChIKeyPVKFSHHZALBPOK-YFSQMDEOSA-N
Species of MetaboliteComponentSourceComments
Albifimbria verrucaria (ncbitaxon:1859699) - DOI (10.1021/np50088a009)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Trichoverrin C (CHEBI:212468) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,7R,9R,11R,12S)-2-[[(E)-5-hydroxy-3-methylpent-3-enoyl]oxymethyl]-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E,6R,7R)-6,7-dihydroxyocta-2,4-dienoate
Manual XrefsDatabases
58828291ChemSpider