input word = C00057295

Metabolite InformationStructural formula
Name Rhamnazin 3-sophoroside
Formula C29H34O17
Mw 654.17959966
CAS RN 259234-18-9
C_ID C00057295
InChIKey WPIJGCCJUFCJAE-ZNHLPFEVSA-N
InChICode InChI=1S/C29H34O17/c1-40-11-6-13(33)18-15(7-11)42-25(10-3-4-12(32)14(5-10)41-2)26(21(18)36)45-29-27(23(38)20(35)17(9-31)44-29)46-28-24(39)22(37)19(34)16(8-30)43-28/h3-7,16-17,19-20,22-24,27-35,37-39H,8-9H2,1-2H3/t16-,17-,19-,20-,22+,23+,24-,27-,28+,29+/m1/s1
SMILES COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(OC)c3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeNasturtium officinale Ref.
zoom in