input word = C00022777

Metabolite InformationStructural formula
Name Bacchabolivic acid
Formula C20H28O3
Mw 316.20384476
CAS RN 120837-97-0
C_ID C00022777 ,
InChIKey KQFDQVMJLKUUDA-YWTSGMDRNA-N
InChICode InChI=1S/C20H28O3/c1-14-5-4-6-17-19(14,2)11-8-16(18(21)22)20(17,3)10-7-15-9-12-23-13-15/h5,9,12-13,16-17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t16-,17-,19-,20+/m0/s1
SMILES CC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C(=O)O)CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis boliviensis Ref.
zoom in