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CHEBI:224760 - Trichothecrotocin L

ChEBI IDCHEBI:224760
ChEBI NameTrichothecrotocin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O5
Net Charge0
Average Mass334.412
Monoisotopic Mass334.17802
SMILESCC=CC(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)C[C@H]4OC[C@@]2(O)[C@@]1(C)[C@]34C
InChIInChI=1S/C19H26O5/c1-5-6-16(20)24-14-9-15-19(21)10-22-12-7-11(2)8-13(23-15)17(12,3)18(14,19)4/h5-6,8,12-15,21H,7,9-10H2,1-4H3/t12-,13-,14-,15-,17+,18-,19+/m1/s1
InChIKeyRPINRPQVDRILIQ-KVEHWWTOSA-N
Species of MetaboliteComponentSourceComments
Trichothecium crotocinigenum (ncbitaxon:261922) - PubMed (32870001)
ChEBI Ontology
Outgoing Relation(s)
Trichothecrotocin L (CHEBI:224760) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1R,2S,5R,9R,10S,11S,12R)-2-hydroxy-7,10,11-trimethyl-4,14-dioxatetracyclo[7.4.1.02,11.05,10]tetradec-7-en-12-yl] but-2-enoate