input word = C00029465

Metabolite InformationStructural formula
Name 2-O-E-p-Coumaroylalphitolic acid
Formula C39H54O6
Mw 618.39203946
CAS RN 67911-63-1
C_ID C00029465 ,
InChIKey LCHMSLHVXVQJDG-MKGILVPNNA-N
InChICode InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-37(6)27(32(26)39)13-14-30-36(5)22-28(33(42)35(3,4)29(36)17-18-38(30,37)7)45-31(41)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40,42H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10+/t26-,27+,28+,29-,30+,32-,33-,36+,37+,38+,39-/m0/s1
SMILES C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Zizphus cambodiana Ref.
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OrganismZizphus cambodiana
ReferenceSuksamrarn,Chem.Pharm.Bull.,54,(2006),535