input word = C00042649

Metabolite InformationStructural formula
Name Kolavenic acid methyl ester
Methyl kolavenate
Formula C21H34O2
Mw 318.25588033
CAS RN 23527-24-4
C_ID C00042649 ,
InChIKey ULUVTDOVIRYSSF-AJWLNKQCNA-N
InChICode InChI=1S/C21H34O2/c1-15(14-19(22)23-6)10-12-20(4)17(3)11-13-21(5)16(2)8-7-9-18(20)21/h8,14,17-18H,7,9-13H2,1-6H3/b15-14+/t17-,18-,20+,21+/m1/s1
SMILES COC(=O)/C=C(C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCopaifera cearensis Ref.
zoom in