input word = C00044822

Metabolite InformationStructural formula
Name iso-Caracurine V
Formula C38H40N4O2
Mw 584.31512655
CAS RN 482647-64-3
C_ID C00044822 ,
InChIKey UKMBKHIMUPGXNJ-ZXVBMVCANA-N
InChICode InChI=1S/C38H40N4O2/c43-15-9-22-19-39-13-11-37-28-6-2-4-8-30(28)42-34(37)26(24(22)17-31(37)39)21-41-29-7-3-1-5-27(29)38-12-14-40-20-23-10-16-44-36(42)33(35(38)41)25(23)18-32(38)40/h1-10,21,24-25,31-36,43H,11-20H2/b22-9+,26-21-/t24-,25-,31-,32-,33+,34-,35+,36+,37+,38+/m0/s1
SMILES c1ccc2c(c1)N1[C@@H]3[C@]42[C@@H]2C[C@H](C3=CN3[C@H]5[C@]6(c7c3cccc7)[C@@H]3C[C@@H]7[C@H]5[C@H]1OCC=C7CN3CC6)/C(=C/CO)/CN2CC4
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos toxifera Ref.
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