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CHEBI:210196 - (2E)-11-(4'-aminophenyl)-5,9-O-cyclo-4,6,8-trimethyl-11-oxo-undec-2-enoic acid

ChEBI IDCHEBI:210196
ChEBI Name(2E)-11-(4'-aminophenyl)-5,9-O-cyclo-4,6,8-trimethyl-11-oxo-undec-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27NO4
Net Charge0
Average Mass345.439
Monoisotopic Mass345.19401
SMILESCC(/C=C/C(=O)O)[C@H]1O[C@@H](CC(=O)c2ccc(N)cc2)[C@H](C)C[C@H]1C
InChIInChI=1S/C20H27NO4/c1-12(4-9-19(23)24)20-14(3)10-13(2)18(25-20)11-17(22)15-5-7-16(21)8-6-15/h4-9,12-14,18,20H,10-11,21H2,1-3H3,(H,23,24)/b9-4+/t12?,13-,14-,18+,20-/m1/s1
InChIKeyRHBKNRVHUONUJZ-GCVWEONUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (20428079)
ChEBI Ontology
Outgoing Relation(s)
(2E)-11-(4'-aminophenyl)-5,9-O-cyclo-4,6,8-trimethyl-11-oxo-undec-2-enoic acid (CHEBI:210196) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(E)-4-[(2S,3R,5R,6S)-6-[2-(4-aminophenyl)-2-oxoethyl]-3,5-dimethyloxan-2-yl]pent-2-enoic acid
Manual XrefsDatabases
27024784ChemSpider