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CHEBI:223564 - Trichobreol B

ChEBI IDCHEBI:223564
ChEBI NameTrichobreol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O6
Net Charge0
Average Mass376.449
Monoisotopic Mass376.18859
SMILESC/C=C/C=C\C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(CO)CC[C@]3(C)[C@]1(C)[C@]21CO1
InChIInChI=1S/C21H28O6/c1-4-5-6-7-15(23)27-17-16(24)18-21(12-25-21)20(17,3)19(2)9-8-13(11-22)10-14(19)26-18/h4-7,10,14,16-18,22,24H,8-9,11-12H2,1-3H3/b5-4+,7-6-/t14-,16-,17-,18-,19+,20-,21+/m1/s1
InChIKeyOGMOBRCVARJBFB-JVEUGTBLSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (32427947)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Trichobreol B (CHEBI:223564) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,7R,9R,10R,11S,12S)-10-hydroxy-5-(hydroxymethyl)-1,2-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E)-hexa-2,4-dienoate
Manual XrefsDatabases
95798018ChemSpider