input word = C00047167

Metabolite InformationStructural formula
Name Alstiphyllanine C
(-)-Alstiphyllanine C
Formula C34H41N2O9
Mw 621.28120592
CAS RN 1124378-37-5
C_ID C00047167 ,
InChIKey PNSGYOJXHMNIJP-BRFYGHCQNA-N
InChICode InChI=1S/C34H41N2O9/c1-9-18-16-36(3)26-15-22(18)33(32(38)43-8,17-44-31(37)19-12-24(40-5)29(42-7)25(13-19)41-6)28-27-21-14-20(39-4)10-11-23(21)35(2)34(26,27)45-30(28)36/h9-14,22,26-28,30H,15-17H2,1-8H3/b18-9-/t22-,26-,27+,28+,30-,33+,34-/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)/C[N@@]4([C@H]2O[C@]2([C@@H]1c1cc(ccc1N2C)OC)[C@@H]4C3)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia macrophylla Ref.
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