input word = C00005611

Metabolite InformationStructural formula
Name Rhamnazin 3-O-rhamninoside
Rhamnazin 3-rhamninoside
Formula C35H44O20
Mw 784.24259385
CAS RN 52801-24-8
C_ID C00005611 ,
InChIKey BVQPBPDDNCHOSN-LKSQEXDCNA-N
InChICode InChI=1S/C35H44O20/c1-11-21(38)25(42)27(44)34(51-11)54-31-22(39)12(2)50-33(29(31)46)49-10-19-23(40)26(43)28(45)35(53-19)55-32-24(41)20-16(37)8-14(47-3)9-18(20)52-30(32)13-5-6-15(36)17(7-13)48-4/h5-9,11-12,19,21-23,25-29,31,33-40,42-46H,10H2,1-4H3/t11-,12+,19+,21-,22-,23+,25-,26-,27-,28-,29-,31-,33+,34-,35-/m0/s1
SMILES COc1cc(O)c2c(=O)c(O[C@@H]3OC(CO[C@@H]4OC(C)[C@H](O)[C@H](O[C@@H]5OC(C)[C@H](O)[C@H](O)C5O)C4O)[C@H](O)C(O)C3O)c(-c3ccc(O)c(OC)c3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeRhamnus disperma Ref.
PlantaeRhamnaceaeRhamnus spp. Ref.
zoom in