CHEBI:224756 - Trichothecrotocin K

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Trichothecrotocin K
ChEBI ID CHEBI:224756
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H24O6
Net Charge 0
Average Mass 348.395
Monoisotopic Mass 348.15729
InChI InChI=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
InChIKey HGRAFPJEBAIYBF-CMTNRFAJSA-N
SMILES O=C1C(=C[C@H]2O[C@H]3[C@]4(CO[C@H]1[C@@]2([C@]4([C@H](OC(=O)C=CC)C3)C)C)O)C
Metabolite of Species Details
Trichothecium crotocinigenum (NCBI:txid261922) See: PubMed
ChEBI Ontology
Outgoing 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