input word = C00047168

Metabolite InformationStructural formula
Name Alstiphyllanine D
(-)-Alstiphyllanine D
Formula C33H38N2O9
Mw 606.25773083
CAS RN 1124378-39-7
C_ID C00047168 ,
InChIKey JZXJPTVFORSZEN-NORVQKDYNA-N
InChICode InChI=1S/C33H38N2O9/c1-8-17-15-35-25-14-21(17)32(31(37)42-7,16-43-30(36)18-11-23(39-4)28(41-6)24(12-18)40-5)27-26-20-13-19(38-3)9-10-22(20)34(2)33(25,26)44-29(27)35/h8-13,21,25-27,29H,14-16H2,1-7H3/b17-8-/t21-,25-,26+,27+,29-,32+,33-/m0/s1
SMILES [C@@H]12[C@](COC(=O)c3cc(c(c(c3)OC)OC)OC)(C(=O)OC)[C@@H]3/C(=C\C)/CN4[C@H]2O[C@]2([C@@H]1c1cc(ccc1N2C)OC)[C@@H]4C3
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia macrophylla Ref.
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