input word = C00054256

Metabolite InformationStructural formula
Name 3-O-cis-Coumaroylmaslinic acid
Formula C39H54O6
Mw 618.39203946
CAS RN 69297-40-1
C_ID C00054256
InChIKey KWLOAKAXMOYBRK-JHXZZHGESA-N
InChICode InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)26(27(39)22-34)13-14-30-36(5)23-28(41)32(35(3,4)29(36)16-17-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,27-30,32,40-41H,14,16-23H2,1-7H3,(H,43,44)/b15-10-/t27-,28+,29-,30+,32-,36-,37+,38+,39-/m0/s1
SMILES OC1=CC=C(/C=CC(O[C@@H]2C(C)(C)[C@@](CC[C@]3(C)[C@]4([H])CC=C5[C@@]3(C)CC[C@]6(C(O)=O)[C@@]5([H])CC(C)(C)CC6)([H])[C@]4(C)C[C@H]2O)=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZizyphus jujuba Ref.
zoom in