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CHEBI:206463 - Methyl (3-hydroxy-4-(2-hydroxy-6-methylheptan-2-yl)benzoyl)glycinate

ChEBI IDCHEBI:206463
ChEBI NameMethyl (3-hydroxy-4-(2-hydroxy-6-methylheptan-2-yl)benzoyl)glycinate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27NO5
Net Charge0
Average Mass337.416
Monoisotopic Mass337.18892
SMILESCOC(=O)CNC(=O)c1ccc([C@@](C)(O)CCCC(C)C)c(O)c1
InChIInChI=1S/C18H27NO5/c1-12(2)6-5-9-18(3,23)14-8-7-13(10-15(14)20)17(22)19-11-16(21)24-4/h7-8,10,12,20,23H,5-6,9,11H2,1-4H3,(H,19,22)/t18-/m0/s1
InChIKeyCNNMORSDNGMLJJ-SFHVURJKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus sydowii (ncbitaxon:75750) - DOI (10.1007/s10600-017-2200-3)
ChEBI Ontology
Outgoing Relation(s)
Methyl (3-hydroxy-4-(2-hydroxy-6-methylheptan-2-yl)benzoyl)glycinate (CHEBI:206463) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
methyl 2-[[3-hydroxy-4-[(2S)-2-hydroxy-6-methylheptan-2-yl]benzoyl]amino]acetate
Manual XrefsDatabases
63002612ChemSpider