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CHEBI:203892 - 2S,4R-spinosate

ChEBI IDCHEBI:203892
ChEBI Name2S,4R-spinosate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O7
Net Charge0
Average Mass312.318
Monoisotopic Mass312.12090
SMILESCOC(=O)[C@H](C[C@@H](OC)c1c(O)ccc(C(C)=O)c1O)OC
InChIInChI=1S/C15H20O7/c1-8(16)9-5-6-10(17)13(14(9)18)11(20-2)7-12(21-3)15(19)22-4/h5-6,11-12,17-18H,7H2,1-4H3/t11-,12+/m1/s1
InChIKeyNMXDMNJYPIEYAT-NEPJUHHUSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (27680770)
ChEBI Ontology
Outgoing Relation(s)
2S,4R-spinosate (CHEBI:203892) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl (2S,4R)-4-(3-acetyl-2,6-dihydroxyphenyl)-2,4-dimethoxybutanoate
Manual XrefsDatabases
78442013ChemSpider