input word = C00005518

Metabolite InformationStructural formula
Name Rhamnetin 3-O-rhamninoside
Rhamnetin 3-rhamninoside
Formula C34H42O20
Mw 770.22694379
CAS RN 75183-90-3
C_ID C00005518 ,
InChIKey NMGVHLDIHNFGQB-SOZLXURCNA-N
InChICode InChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-16(37)7-13(47-3)8-17(19)51-29(31)12-4-5-14(35)15(36)6-12/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3/t10-,11+,18-,20+,21+,22-,24+,25+,26-,27-,28-,30+,32-,33+,34+/m1/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(O)c3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeRhamnus cathartica Ref.
PlantaeRhamnaceaeRhamnus disperma Ref.
PlantaeRhamnaceaeRhamnus petiolaris Ref.
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