input word = C00005847

Metabolite InformationStructural formula
Name Kaempferol 3-(6''-galloylglucoside)
Kaempferol 3-O-(6''-galloyl)-beta-D-glucopyranoside
Kaempferol 3-O-(6-O-galloyl)-beta-D-glucopyranoside
Formula C28H24O15
Mw 600.1115201
CAS RN 56317-05-6
C_ID C00005847 ,
InChIKey STMNAPXMGWBZSF-UGEUAMLGNA-N
InChICode InChI=1S/C28H24O15/c29-12-3-1-10(2-4-12)25-26(22(36)19-14(31)7-13(30)8-17(19)41-25)43-28-24(38)23(37)21(35)18(42-28)9-40-27(39)11-5-15(32)20(34)16(33)6-11/h1-8,18,21,23-24,28-35,37-38H,9H2/t18-,21-,23+,24-,28+/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)c1cc(c(c(c1)O)O)O)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeRhus sylvestris Ref.
PlantaeFabaceaeSophora japonica Ref.
PlantaeFagaceaeQuercus canariensis Ref.
PlantaeSaxifragaceaeHeuchera spp. Ref.
--Baseonema acuminatum Ref.
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