input word = C00061643

Metabolite InformationStructural formula
Name Methyl pimarate
Formula C21H32O2
Mw 316.24023027
CAS RN 3730-56-1
C_ID C00061643
InChIKey BGCXKCIPDDNDEV-MIGBRYPXSA-N
InChICode InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,14,16-17H,1,7-13H2,2-5H3/t16?,17?,19?,20-,21-/m1/s1;InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,14,16-17H,1,7-13H2,2-5H3;InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17+,19+,20+,21+/m0/s1
SMILES C=CC1(C)C=C2CCC3C(C)(C(=O)OC)CCCC3(C)C2CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMurraya paniculata Ref.
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