input word = C00054256

Metabolite InformationStructural formula
Name 3beta-O-cis-p-Coumaroylmaslinic acid
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 CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=Cc6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
PlantaeRhamnaceaeZizyphus jujuba Ref.
zoom in



OrganismZizyphus jujuba
ReferenceCaglioti, L. et al., Gazz. Chim. Ital., 1961, 91, 1387-1399 (Maslinic acid, isol, struct)