input word = C00046438

Metabolite InformationStructural formula
Name Strychnogucine B
Formula C42H42N4O4
Mw 666.32060586
CAS RN 324519-13-3
C_ID C00046438 ,
InChIKey MMKIAHOGFMPKCT-WZUZLJQDNA-N
InChICode InChI=1S/C42H42N4O4/c47-13-9-22-20-43-12-11-41-28-5-1-4-8-31(28)46-38(41)26(24(22)16-34(41)43)15-27(40(46)49)32-19-42-29-6-2-3-7-30(29)45-36(48)18-33-37(39(42)45)25-17-35(42)44(32)21-23(25)10-14-50-33/h1-10,15,24-26,32-35,37-39,47H,11-14,16-21H2/b22-9-/t24-,25-,26-,32+,33-,34-,35-,37-,38-,39-,41+,42+/m0/s1
SMILES c1ccc2c(c1)[C@]13[C@H]4N2C(=O)C[C@H]2[C@@H]4[C@H]4C[C@@H]3N([C@H](C1)C1=C[C@H]3[C@@H]5N(C1=O)c1c([C@@]65[C@@H]5C[C@H]3/C(=C\CO)/CN5CC6)cccc1)CC4=CCO2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos icaja Ref.
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