input word = C00024343

Metabolite InformationStructural formula
Name (+)-Alstomacroline
Formula C42H50N4O5
Mw 690.37812074
CAS RN 199800-14-1
C_ID C00024343 ,
InChIKey KWWPTZADUTXZJC-RRHZLXJONA-N
InChICode InChI=1S/C42H50N4O5/c1-6-22-19-45-34-17-28(22)42(39(48)50-5)35(45)18-41(38(42)47)27-12-8-10-14-31(27)46(37(34)41)20-29-24-15-33-36-25(23-11-7-9-13-30(23)44(36)4)16-32(43(33)3)26(24)21-51-40(29,2)49/h6-14,24,26,28-29,32-35,37-38,47,49H,15-21H2,1-5H3/b22-6-/t24-,26-,28+,29+,32-,33-,34+,35+,37+,38+,40-,41-,42-/m1/s1
SMILES C/C=C1/CN2[C@H]3C[C@@]45c6ccccc6N(CC6C7CC8c9c(c%10ccccc%10n9C)CC(C7COC6(C)O)N8C)[C@H]4[C@@H]2CC1C3(C(=O)OC)C5O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia macrophylla Ref.
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