input word = C00063026

Metabolite InformationStructural formula
Name (2E,4E)-5-[(1S)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid methyl ester
Formula C16H22O4
Mw 278.15180919
CAS RN 79434-13-2
C_ID C00063026
InChIKey HHDYPZVHXGPCRG-NWYHZMQGSA-N
InChICode InChI=1S/C16H22O4/c1-11(8-14(18)20-5)6-7-16(19)12(2)9-13(17)10-15(16,3)4/h6-9,19H,10H2,1-5H3/b7-6+,11-8+/t16-/m1/s1
SMILES COC(=O)C=C(C)C=CC1(O)C(C)=CC(=O)CC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lycopersicum Ref.
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