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CHEBI:189503 - Ethyl {(1s,4s,5s)-4-[(isonicotinoylamino)methyl]-5-isopropyl-2-methyl-2-cyclohexen-1-yl}acetate

ChEBI IDCHEBI:189503
ChEBI NameEthyl {(1s,4s,5s)-4-[(isonicotinoylamino)methyl]-5-isopropyl-2-methyl-2-cyclohexen-1-yl}acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30N2O3
Net Charge0
Average Mass358.482
Monoisotopic Mass358.22564
SMILESCCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2ccncc2)C=C1C
InChIInChI=1S/C21H30N2O3/c1-5-26-20(24)12-17-11-19(14(2)3)18(10-15(17)4)13-23-21(25)16-6-8-22-9-7-16/h6-10,14,17-19H,5,11-13H2,1-4H3,(H,23,25)/t17-,18-,19-/m0/s1
InChIKeyBSTZJININODUKU-FHWLQOOXSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
Ethyl {(1s,4s,5s)-4-[(isonicotinoylamino)methyl]-5-isopropyl-2-methyl-2-cyclohexen-1-yl}acetate (CHEBI:189503) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
ethyl 2-[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(pyridine-4-carbonylamino)methyl]cyclohex-2-en-1-yl]acetate
Manual XrefsDatabases
22937344ChemSpider