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 COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@]43O
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.
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