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CHEBI:227309 - Clostrocyloin

ChEBI IDCHEBI:227309
ChEBI NameClostrocyloin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H19NO3
Net Charge0
Average Mass249.310
Monoisotopic Mass249.13649
SMILESCC(C)CC(=O)[C@@H](C)OC(=O)c1ccccc1N
InChIInChI=1S/C14H19NO3/c1-9(2)8-13(16)10(3)18-14(17)11-6-4-5-7-12(11)15/h4-7,9-10H,8,15H2,1-3H3/t10-/m1/s1
InChIKeyALINNRQWWIQSNM-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Clostridium beijerinckii (ncbitaxon:1520) - PubMed (31243958)
ChEBI Ontology
Outgoing Relation(s)
Clostrocyloin (CHEBI:227309) is a benzoate ester (CHEBI:36054)
IUPAC Name 
[(2R)-5-methyl-3-oxohexan-2-yl] 2-aminobenzoate