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CHEBI:223239 - Trichodermarin C

ChEBI IDCHEBI:223239
ChEBI NameTrichodermarin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O5
Net Charge0
Average Mass308.374
Monoisotopic Mass308.16237
SMILESCC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)CC[C@]3(C)[C@]1(C)[C@]21CO1
InChIInChI=1S/C17H24O5/c1-9-5-6-15(3)11(7-9)22-14-12(19)13(21-10(2)18)16(15,4)17(14)8-20-17/h7,11-14,19H,5-6,8H2,1-4H3/t11-,12-,13-,14-,15+,16-,17+/m1/s1
InChIKeyWZFYEPWITNJQHM-YFFLOQLSSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (30860372)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Trichodermarin C (CHEBI:223239) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,7R,9R,10R,11S,12S)-10-hydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate