input word = C00054300

Metabolite InformationStructural formula
Name 3-O-p-cis-Coumaroylalphitolic acid
Formula C39H54O6
Mw 618.39203946
CAS RN 67911-64-2
C_ID C00054300
InChIKey AQHKWALTXQHZKK-JVJDLVJMSA-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(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40-41H,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 OC1=CC=C(/C=CC(O[C@@H]2C(C)(C)[C@@](CC[C@]3(C)[C@]4([H])CC[C@@]5([H])[C@@]3(C)CC[C@]6(C(O)=O)[C@]5([H])[C@H](C(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.
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