input word = C00037790

Metabolite InformationStructural formula
Name Saponarin 4'-O-glucoside
(-)-Saponarin 4'-O-glucoside
Formula C33H40O20
Mw 756.21129372
CAS RN 157405-69-1
C_ID C00037790 ,
InChIKey LJHWZNFWSHGYJS-GNRNQWJANA-N
InChICode InChI=1S/C33H40O20/c34-7-16-21(38)25(42)28(45)31(50-16)20-15(51-33-30(47)27(44)23(40)18(9-36)53-33)6-14-19(24(20)41)12(37)5-13(49-14)10-1-3-11(4-2-10)48-32-29(46)26(43)22(39)17(8-35)52-32/h1-6,16-18,21-23,25-36,38-47H,7-9H2/t16-,17-,18-,21-,22-,23-,25+,26+,27+,28-,29-,30-,31+,32-,33-/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucumis sativus Ref.
PlantaePoaceaeHordeum vulgare var.nudum Ref.
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