input word = C00054959

Metabolite InformationStructural formula
Name Calendic acid
Formula C18H30O2
Mw 278.2245802
CAS RN 28872-28-8
C_ID C00054959
InChIKey DQGMPXYVZZCNDQ-KDQYYBQISA-N
InChICode InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H,19,20)/b7-6-,9-8+,11-10-
SMILES CCCCC/C=CC=CC=C/CCCCCCC(O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalendula officinalis Ref.
zoom in