input word = C00005194

Metabolite InformationStructural formula
Name Kaempferol 3,4'-di-O-beta-D-glucopyranoside
Kaempferol 3,4'-diglucoside
3-(beta-D-Glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C27H30O16
Mw 610.15338491
CAS RN 71939-16-7
C_ID C00005194 ,
InChIKey CRHCCDOCWGWLSH-MAUJFVQSNA-N
InChICode InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-3-1-9(2-4-11)24-25(19(34)16-12(31)5-10(30)6-13(16)40-24)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14-,15+,17-,18-,20+,21+,22-,23+,26-,27+/m1/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[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
PlantaeAlliaceaeAllium tuberosum Ref.
PlantaeAlliaceaeAllium victorialis Ref.
PlantaeApiaceaeSmyrnium perfoliatum Ref.
PlantaeConvallariaceaeOphiopogon jaburan Ref.
PlantaeCruciferaeCrambe tataria Ref.
PlantaeCruciferaeSisymbrium gilliesii Ref.
PlantaeFabaceaeAstragalus complanatus Ref.
PlantaeIridaceaeCrocus antalyensis Ref.
PlantaeIridaceaeCrocus speciosus Ref.
PlantaePinaceaePicea abies Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRosaceaePrunus cerasus Ref.
PlantaeRosaceaePrunus spp. Ref.
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