input word = C00047166

Metabolite InformationStructural formula
Name Alstiphyllanine B
(-)-Alstiphyllanine B
Formula C33H39N2O8
Mw 591.27064124
CAS RN 1124378-34-2
C_ID C00047166 ,
InChIKey FQNVVIFYCSEBAW-PCBSOZCQNA-N
InChICode InChI=1S/C33H39N2O8/c1-8-18-16-35(3)26-15-22(18)32(31(37)41-7,17-42-30(36)19-9-12-24(39-5)25(13-19)40-6)28-27-21-14-20(38-4)10-11-23(21)34(2)33(26,27)43-29(28)35/h8-14,22,26-29H,15-17H2,1-7H3/b18-8-/t22-,26-,27+,28+,29-,32-,33-/m0/s1
SMILES [C@@H]12[C@@](COC(=O)c3cc(c(cc3)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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