input word = C00042413

Metabolite InformationStructural formula
Name Copalic acid methyl ester
(-)-Copalic acid methyl ester
Methyl copalate
Formula C21H34O2
Mw 318.25588033
CAS RN 17110-88-2
C_ID C00042413 ,
InChIKey KYTKOCVFNCZSSC-QJVOBPTGNA-N
InChICode InChI=1S/C21H34O2/c1-15(14-19(22)23-6)8-10-17-16(2)9-11-18-20(3,4)12-7-13-21(17,18)5/h14,17-18H,2,7-13H2,1,3-6H3/b15-14+/t17-,18-,21-/m1/s1
SMILES C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAristolochiaceaeAristolochia esperanzae Ref.
PlantaeFabaceaeCopaifera cearensis Ref.
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