input word = C00047120

Metabolite InformationStructural formula
Name Uncarinic acid E
Formula C39H54O6
Mw 618.39203946
CAS RN 277751-61-8
C_ID C00047120 ,
InChIKey ZPBONBNZOMMCQS-MTDWHEGSNA-N
InChICode InChI=1S/C39H54O6/c1-34(2)19-20-38(33(43)44)21-22-39(24-45-32(42)14-9-25-7-10-26(40)11-8-25)27(28(38)23-34)12-13-30-36(5)17-16-31(41)35(3,4)29(36)15-18-37(30,39)6/h7-12,14,28-31,40-41H,13,15-24H2,1-6H3,(H,43,44)/b14-9+/t28-,29-,30+,31-,36-,37+,38-,39+/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@]1(CC2)COC(=O)/C=C/c1ccc(cc1)O)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O)C)C)C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeUncaria rhynchophylla Ref.
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OrganismUncaria rhynchophylla
ReferenceLee,J.Nat.Prod.,63,(2000),753