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 C1=C2[C@]([C@]3([C@H](C1)[C@@]1([C@@H](CC3)C([C@H]([C@@H](C1)OC(=O)/C=C/c1cc(c(cc1)O)O)O)(C)C)C)C)(CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeElaeagnaceaeHippophae rhamnoides L. Ref.
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