input word = C00005249

Metabolite InformationStructural formula
Name Kaempferol 3-glucoside-7-gentiobioside
Formula C33H40O21
Mw 772.20620834
CAS RN 60778-01-0
C_ID C00005249 ,
InChIKey HLPZWKGCSQDNGN-XFCPZHLENA-N
InChICode InChI=1S/C33H40O21/c34-7-15-19(38)23(42)26(45)31(51-15)48-9-17-21(40)25(44)27(46)32(53-17)49-12-5-13(37)18-14(6-12)50-29(10-1-3-11(36)4-2-10)30(22(18)41)54-33-28(47)24(43)20(39)16(8-35)52-33/h1-6,15-17,19-21,23-28,31-40,42-47H,7-9H2/t15-,16-,17+,19+,20+,21+,23-,24-,25-,26+,27-,28+,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(cc1)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeNerisyrenia camporum Ref.
PlantaeCruciferaeNerisyrenia linearifolia Ref.
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