input word = C00047761

Metabolite InformationStructural formula
Name Bisnicalaterine A
Formula C42H50N4O5
Mw 690.37812074
CAS RN 1149343-68-9
C_ID C00047761 ,
InChIKey TYYBJRHYBIULFL-GNIJEABVNA-N
InChICode InChI=1S/C42H50N4O5/c1-7-23-21-44(3)33-18-29-25-13-9-11-15-31(25)43-39(29)35(17-27(23)37(33)41(48)50-5)46-32-16-12-10-14-26(32)30-19-34-38(42(49)51-6)28(20-36(47)40(30)46)24(8-2)22-45(34)4/h7-16,27-28,33-38,43,47H,17-22H2,1-6H3/b23-7-,24-8+/t27-,28-,33-,34-,35-,36+,37-,38+/m0/s1
SMILES C\1(=C/C)/CN([C@H]2Cc3c([C@@H](C[C@@H]1[C@H]2C(=O)OC)O)n(c1c3cccc1)[C@@H]1c2c(C[C@@H]3N(C/C(=C/C)/[C@H](C1)[C@@H]3C(=O)OC)C)c1c([nH]2)cccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin IPP
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHunteria zeylanica Ref.
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