input word = C00025199

Metabolite InformationStructural formula
Name Pseudobrucine
16-Hydroxybrucine
Formula C23H26N2O5
Mw 410.18417196
CAS RN 560-30-5
C_ID C00025199 ,
InChIKey JNNROFOMHXIAMQ-KFOJDFCVNA-N
InChICode InChI=1S/C23H26N2O5/c1-28-16-7-14-15(8-17(16)29-2)25-19(26)9-18-20-13-10-23(27)22(14,21(20)25)4-5-24(23)11-12(13)3-6-30-18/h3,7-8,13,18,20-21,27H,4-6,9-11H2,1-2H3/t13-,18-,20-,21-,22-,23+/m0/s1
SMILES c1(c(cc2c(c1)[C@@]13[C@H]4N2C(=O)C[C@H]2[C@@H]4[C@H]4C[C@@]1(N(CC3)CC4=CCO2)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos atlantica Ref.
PlantaeLonganiaceaeStrychnos lucida R.Br. Ref.
PlantaeLonganiaceaeStrychnos nux-vomica Ref.
PlantaeLonganiaceaeStrychnos spinosa Ref.
PlantaeLonganiaceaeStrychnos wallichiana Ref.
zoom in