input word = C00037853

Metabolite InformationStructural formula
Name Strychnogucine C
Formula C42H42N4O3
Mw 650.32569124
CAS RN 532971-12-3
C_ID C00037853 ,
InChIKey LYRBFJCNZKRZPT-VWHLMQKGNA-N
InChICode InChI=1S/C42H42N4O3/c1-2-22-21-44-31(19-42-28-8-4-5-9-29(28)45-34(47)12-11-24(38(42)45)25(22)17-33(42)44)36-37-35-26-18-32-41(14-15-43(32)20-23(26)13-16-49-37)27-7-3-6-10-30(27)46(39(35)41)40(36)48/h2-13,24-26,31-33,35-39H,14-21H2,1H3/b22-2+/t24-,25+,26+,31-,32+,33+,35-,36+,37-,38+,39+,41?,42?/m1/s1
SMILES C/C=C1CN2[C@@H]([C@@H]3C(=O)N4c5ccccc5[C@@]56CCN7CC8=CCO[C@@H]3[C@H]([C@H]45)[C@H]8C[C@H]76)C[C@]34c5ccccc5N5C(=O)C=C[C@H]([C@H]53)[C@H]1C[C@H]24
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos icaja Ref.
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