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CHEBI:224756 - Trichothecrotocin K

ChEBI IDCHEBI:224756
ChEBI NameTrichothecrotocin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O6
Net Charge0
Average Mass348.395
Monoisotopic Mass348.15729
SMILESCC=CC(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)C(=O)[C@H]4OC[C@@]2(O)[C@@]1(C)[C@@]43C
InChIInChI=1S/C19H24O6/c1-5-6-14(20)25-12-8-13-19(22)9-23-16-15(21)10(2)7-11(24-13)17(16,3)18(12,19)4/h5-7,11-13,16,22H,8-9H2,1-4H3/t11-,12-,13-,16-,17-,18-,19+/m1/s1
InChIKeyHGRAFPJEBAIYBF-CMTNRFAJSA-N
Species of MetaboliteComponentSourceComments
Trichothecium crotocinigenum (ncbitaxon:261922) - PubMed (32870001)
ChEBI Ontology
Outgoing Relation(s)
Trichothecrotocin K (CHEBI:224756) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1R,2S,5S,9R,10R,11S,12R)-2-hydroxy-7,10,11-trimethyl-6-oxo-4,14-dioxatetracyclo[7.4.1.02,11.05,10]tetradec-7-en-12-yl] but-2-enoate