input word = C00029464

Metabolite InformationStructural formula
Name 2-O-Caffeoyl-maslinic acid
Formula C39H43O7
Mw 623.30087873
CAS RN 929211-69-8
C_ID C00029464 ,
InChIKey KTFAOIPNIQQKGY-CJFNVZJZNA-N
InChICode InChI=1S/C39H54O7/c1-34(2)16-18-39(33(44)45)19-17-37(6)24(25(39)21-34)10-12-30-36(5)22-28(32(43)35(3,4)29(36)14-15-38(30,37)7)46-31(42)13-9-23-8-11-26(40)27(41)20-23/h8-11,13,20,25,28-30,32,40-41,43H,12,14-19,21-22H2,1-7H3,(H,44,45)/b13-9+/t25-,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](OC(=O)/C=C/c6ccc(O)c(O)c6)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeElaeagnaceaeHippophae rhamnoides L. Ref.
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