input word =
C00005229
Metabolite Information
Structural formula
Name
Kaempferol 3-O-sophoroside 7-O-beta-D-glucopyranoside:Kaempferol 3-sophoroside-7-glucoside
(-)-Kaempferol 3-O-sophoroside 7-O-beta-D-glucopyranoside
Formula
C33H40O21
Mw
772.20620834
CAS RN
55136-76-0
C_ID
C00005229 ,
InChIKey
MBFNAZBJKVFNKZ-YIRMBCKDNA-N
InChICode
InChI=1S/C33H40O21/c34-7-15-19(39)23(43)26(46)31(50-15)48-12-5-13(38)18-14(6-12)49-28(10-1-3-11(37)4-2-10)29(22(18)42)53-33-30(25(45)21(41)17(9-36)52-33)54-32-27(47)24(44)20(40)16(8-35)51-32/h1-6,15-17,19-21,23-27,30-41,43-47H,7-9H2/t15-,16+,17+,19-,20-,21-,23+,24+,25+,26-,27-,30-,31-,32+,33+/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[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)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom
Family
Species
Reference
Plantae
Amaryllidaceae
Galanthus nivalis
Ref.
Plantae
Cruciferae
Brassica napus
Ref.
Plantae
Cruciferae
Brassica oleracea
Ref.
Plantae
Cruciferae
Brassica rapa
Ref.
Plantae
Cruciferae
Sinapis arvensis
Ref.
Plantae
Elaeagnaceae
Elaeagnus multiflora
Ref.
Plantae
Equisetaceae
Equisetum debile
Ref.
Plantae
Equisetaceae
Equisetum spp.
Ref.
Plantae
Fabaceae
Lathyrus vernus
Ref.
Plantae
Hostaceae
Hosta ventricosa
Ref.
Plantae
Rosaceae
Potentilla spp.
Ref.
Plantae
Solanaceae
Nicotiana spp.
Ref.
Plantae
Solanaceae
Petunia x hybrida
Ref.
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