input word = C00005858

Metabolite InformationStructural formula
Name Kaempferol 3-(2'',3''-diacetyl-4''-(Z)-p-coumaryl-6''-(E)-p-coumarylglucoside)
Formula C43H36O17
Mw 824.19524973
CAS RN 137018-29-2
C_ID C00005858 ,
InChIKey QFYWXPXFEBIELC-DIHWNAHDNA-N
InChICode InChI=1S/C43H36O17/c1-22(44)55-41-39(59-35(52)18-8-25-5-13-28(47)14-6-25)33(21-54-34(51)17-7-24-3-11-27(46)12-4-24)58-43(42(41)56-23(2)45)60-40-37(53)36-31(50)19-30(49)20-32(36)57-38(40)26-9-15-29(48)16-10-26/h3-20,33,39,41-43,46-50H,21H2,1-2H3/b17-7+,18-8-/t33-,39-,41+,42-,43+/m1/s1
SMILES CC(=O)OC1C(OC(C)=O)[C@H](OC(=O)/C=Cc2ccc(O)cc2)C(COC(=O)/C=C/c2ccc(O)cc2)O[C@H]1Oc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus canariensis Ref.
PlantaeFagaceaeQuercus rubra Ref.
PlantaeFagaceaeQuercus suber Ref.
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