input word = C00005479

Metabolite InformationStructural formula
Name Quercetin 3-galactoside-7-neohesperidoside
Formula C33H40O21
Mw 772.20620834
CAS RN 120552-48-9
C_ID C00005479 ,
InChIKey RDLKKCHYZFDJST-GUJPSZOXNA-N
InChICode InChI=1S/C33H40O21/c1-9-19(39)23(43)26(46)31(48-9)54-30-25(45)21(41)17(8-35)52-33(30)49-11-5-14(38)18-15(6-11)50-28(10-2-3-12(36)13(37)4-10)29(22(18)42)53-32-27(47)24(44)20(40)16(7-34)51-32/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16-,17+,19-,20-,21+,23-,24-,25-,26+,27+,30-,31-,32-,33+/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)c1ccc(c(c1)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePteridaceaeCheilanthes farinosa Ref.
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