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CHEBI:214233 - (4S*,5R*,6S*)-4,5-dihydroxy-3-methoxy-6-undecanoyloxy-2-cyclohexen-1-one

ChEBI IDCHEBI:214233
ChEBI Name(4S*,5R*,6S*)-4,5-dihydroxy-3-methoxy-6-undecanoyloxy-2-cyclohexen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O6
Net Charge0
Average Mass342.432
Monoisotopic Mass342.20424
SMILESCCCCCCCCCCC(=O)O[C@@H]1C(=O)C=C(OC)[C@@H](O)[C@H]1O
InChIInChI=1S/C18H30O6/c1-3-4-5-6-7-8-9-10-11-15(20)24-18-13(19)12-14(23-2)16(21)17(18)22/h12,16-18,21-22H,3-11H2,1-2H3/t16-,17-,18-/m1/s1
InChIKeyJKQXBDVSNBTUDS-KZNAEPCWSA-N
Species of MetaboliteComponentSourceComments
Neofusicoccum laricinum (ncbitaxon:121618) - PubMed (33069833)
ChEBI Ontology
Outgoing Relation(s)
(4S*,5R*,6S*)-4,5-dihydroxy-3-methoxy-6-undecanoyloxy-2-cyclohexen-1-one (CHEBI:214233) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(1S,5S,6R)-5,6-dihydroxy-4-methoxy-2-oxocyclohex-3-en-1-yl] undecanoate