input word = C00053178

Metabolite InformationStructural formula
Name Frutoic acid
Formula C40H60O4
Mw 604.4491604
CAS RN 168986-62-7
C_ID C00053178
InChIKey BYZNBEVZWXOYJE-UHFFFAOYSA-N
InChICode InChI=1S/C40H60O4/c1-25-9-13-29-35(2,3)17-7-18-36(29,4)28(25)12-10-26-15-21-39(22-16-26)27-11-14-30-37(5)19-8-20-38(6,34(43)44)31(37)23-32(41)40(30,24-27)33(39)42/h15,27-32,41H,1,7-14,16-24H2,2-6H3,(H,43,44)
SMILES C=C1CCC2C(C)(C)CCCC2(C)C1CCC1=CCC2(CC1)C(=O)C13CC2CCC1C1(C)CCCC(C)(C(=O)O)C1CC3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeXylopia frutescens Ref.
zoom in



OrganismXylopia frutescens
ReferenceMoreira, I. C. et al., Chem. Biodiv., 10, (2013), 1921-1943.