input word = C00005857

Metabolite InformationStructural formula
Name Kaempferol 3-(3''-p-coumaryl-6''-ferulylglucoside)
Formula C40H34O16
Mw 770.18468504
CAS RN 69200-63-1
C_ID C00005857 ,
InChIKey XPIXCPCSKJDZLU-XQEBJDTONA-N
InChICode InChI=1S/C40H34O16/c1-51-28-16-21(4-13-26(28)44)6-14-31(46)52-19-30-34(48)38(55-32(47)15-5-20-2-9-23(41)10-3-20)36(50)40(54-30)56-39-35(49)33-27(45)17-25(43)18-29(33)53-37(39)22-7-11-24(42)12-8-22/h2-18,30,34,36,38,40-45,48,50H,19H2,1H3/b14-6+,15-5+/t30-,34-,36-,38-,40+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)OC)O)OC(=O)/C=C/c1ccc(cc1)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePicea obovata Ref.
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