input word = C00005247

Metabolite InformationStructural formula
Name Kaempferol 3-rutinoside-4'-glucoside
Formula C33H40O20
Mw 756.21129372
CAS RN 89439-58-7
C_ID C00005247 ,
InChIKey FYJOVKRHRUYSLY-UQUKIGOGNA-N
InChICode InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-12(35)7-15(18)50-29(30)11-2-4-13(5-3-11)49-32-27(45)24(42)20(38)16(8-34)51-32/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,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[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGeraniaceaeErodium spp. Ref.
PlantaeGeraniaceaeGeranium rotundifolium Ref.
PlantaeGeraniaceaeGeranium yemens Ref.
PlantaeRosaceaePrunus avium Ref.
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