input word = C00053932

Metabolite InformationStructural formula
Name Cadabicine glucoside
Formula C31H39N3O9
Mw 597.26862987
CAS RN 1207167-84-7
C_ID C00053932
InChIKey LAWDUIUNYVYPHQ-KHFOODSBSA-N
InChICode InChI=1S/C31H39N3O9.ClH/c35-19-25-28(38)29(39)30(40)31(43-25)42-23-11-6-21-8-13-27(37)33-16-2-1-14-32-15-3-17-34-26(36)12-7-20-4-9-22(10-5-20)41-24(23)18-21;/h4-13,18,25,28-32,35,38-40H,1-3,14-17,19H2,(H,33,37)(H,34,36);1H/b12-7+,13-8+;/t25-,28-,29+,30-,31-;/m1./s1
SMILES Cl.O=C1/C=C/c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(c2)Oc2ccc(cc2)/C=C/C(=O)NCCCNCCCCN1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCapparis spinosa Ref.
zoom in