input word = C00005167

Metabolite InformationStructural formula
Name Kaempferol 3-neohesperidoside
Formula C27H30O15
Mw 594.15847029
CAS RN 32602-81-6
C_ID C00005167 ,
InChIKey OHOBPOYHROOXEI-BJNXDYKJNA-N
InChICode InChI=1S/C27H30O15/c1-9-17(32)20(35)22(37)26(38-9)42-25-21(36)18(33)15(8-28)40-27(25)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3/t9-,15-,17+,18-,20-,21-,22+,25-,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[C@@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium platanifolium Ref.
PlantaeCruciferaeNerisyrenia linearifolia Ref.
PlantaeFabaceaeCassia fistula Ref.
PlantaeFabaceaeClitoria ternata Ref.
PlantaeFabaceaeClitoria ternatea Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeIndigofera mysorensis Ref.
PlantaeGinkgoaceaeGinkgo biloba Ref.
PlantaeRosaceaeCrataegus monogyna Ref.
PlantaeSolanaceaeSolanum spp. Ref.
PlantaeTyphaceaeTypha spp. Ref.
PlantaeUrticaceaeParietaria officinalis Ref.
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