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CHEBI:226040 - Oudemansin K

ChEBI IDCHEBI:226040
ChEBI NameOudemansin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O7
Net Charge0
Average Mass474.594
Monoisotopic Mass474.26175
SMILESC=CC(C)(C)O[C@H]1COc2ccc(C=C[C@H](OC)[C@@H](C)C(=COC)C(=O)OC)cc2OC1(C)C
InChIInChI=1S/C27H38O7/c1-10-26(3,4)34-24-17-32-22-14-12-19(15-23(22)33-27(24,5)6)11-13-21(30-8)18(2)20(16-29-7)25(28)31-9/h10-16,18,21,24H,1,17H2,2-9H3/t18-,21-,24-/m0/s1
InChIKeyOMSMHBNCNKJVQX-XZOYJPPVSA-N
Species of MetaboliteComponentSourceComments
Favolaschia (ncbitaxon:139071) - PubMed (32193929)
ChEBI Ontology
Outgoing Relation(s)
Oudemansin K (CHEBI:226040) is a oxacycle (CHEBI:38104)
IUPAC Name 
methyl (3S,4S)-6-[(3S)-4,4-dimethyl-3-(2-methylbut-3-en-2-yloxy)-2,3-dihydro-1,5-benzodioxepin-7-yl]-4-methoxy-2-(methoxymethylidene)-3-methylhex-5-enoate