input word = C00005849

Metabolite InformationStructural formula
Name Kaempferol 3-(2''-p-coumarylglucoside)
Formula C30H26O13
Mw 594.13734092
CAS RN 137018-32-7
C_ID C00005849 ,
InChIKey IKONEAPXVKTZFF-PXHWTXLFNA-N
InChICode InChI=1S/C30H26O13/c31-13-21-24(37)26(39)29(42-22(36)10-3-14-1-6-16(32)7-2-14)30(41-21)43-28-25(38)23-19(35)11-18(34)12-20(23)40-27(28)15-4-8-17(33)9-5-15/h1-12,21,24,26,29-35,37,39H,13H2/b10-3+/t21-,24-,26+,29-,30+/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)OC(=O)/C=C/c1ccc(cc1)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeLithocarpus polystachya Ref.
PlantaeFagaceaeQuercus suber Ref.
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