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CHEBI:224694 - 9-(4'-aminophenyl)-3,7-O-cyclo-2,4,6-trimethyl-9-oxo-nonanoic acid

ChEBI IDCHEBI:224694
ChEBI Name9-(4'-aminophenyl)-3,7-O-cyclo-2,4,6-trimethyl-9-oxo-nonanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H25NO4
Net Charge0
Average Mass319.401
Monoisotopic Mass319.17836
SMILESCC(C(=O)O)[C@H]1O[C@@H](CC(=O)c2ccc(N)cc2)[C@H](C)C[C@H]1C
InChIInChI=1S/C18H25NO4/c1-10-8-11(2)17(12(3)18(21)22)23-16(10)9-15(20)13-4-6-14(19)7-5-13/h4-7,10-12,16-17H,8-9,19H2,1-3H3,(H,21,22)/t10-,11-,12?,16+,17+/m1/s1
InChIKeyDUCJBKUWKFIECZ-JJRMKULNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (20428079)
ChEBI Ontology
Outgoing Relation(s)
9-(4'-aminophenyl)-3,7-O-cyclo-2,4,6-trimethyl-9-oxo-nonanoic acid (CHEBI:224694) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
2-[(2S,3R,5R,6S)-6-[2-(4-aminophenyl)-2-oxoethyl]-3,5-dimethyloxan-2-yl]propanoic acid
Manual XrefsDatabases
27024785ChemSpider