input word = C00023208

Metabolite InformationStructural formula
Name Seconidoresedaic acid methyl ester
Formula C21H28O3
Mw 328.20384476
CAS RN 70387-35-8
C_ID C00023208 ,
InChIKey UQBKEKGILPGMIT-VRDKKPMHNA-N
InChICode InChI=1S/C21H28O3/c1-16-8-9-17(2)21(3,13-10-18-11-14-24-15-18)12-6-5-7-19(16)20(22)23-4/h5-7,11,14-15,17H,1,8-10,12-13H2,2-4H3/b6-5-,19-7+/t17-,21-/m1/s1
SMILES C=C1CC[C@@H](C)[C@@](C)(CCc2ccoc2)C/C=CC=C/1C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNidorella resedifolia Ref.
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