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CHEBI:199854 - Trichoverritone

ChEBI IDCHEBI:199854
ChEBI NameTrichoverritone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H46O11
Net Charge0
Average Mass642.742
Monoisotopic Mass642.30401
SMILESCC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\C(OCCC4=CC(=O)OC4)C(C)O)[C@](C)([C@@]2(COC(=O)/C=C(\C)CCO)CC1)[C@]31CO1
InChIInChI=1S/C35H46O11/c1-22-9-12-34(20-43-31(39)16-23(2)10-13-36)28(15-22)45-29-18-27(33(34,4)35(29)21-44-35)46-30(38)8-6-5-7-26(24(3)37)41-14-11-25-17-32(40)42-19-25/h5-8,15-17,24,26-29,36-37H,9-14,18-21H2,1-4H3/b7-5+,8-6-,23-16+/t24?,26?,27-,28-,29-,33-,34-,35+/m1/s1
InChIKeySBZMQFWYHDOLHG-MZKSFLEOSA-N
Species of MetaboliteComponentSourceComments
Paramyrothecium roridum (ncbitaxon:1859971) - DOI (10.1016/s0040-4039(00)88162-9)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Trichoverritone (CHEBI:199854) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,7R,9R,11R,12S)-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)-7-hydroxy-6-[2-(5-oxo-2H-uran-3-yl)ethoxy]octa-2,4-dienoate
Manual XrefsDatabases
52085223ChemSpider