input word = C00005880

Metabolite InformationStructural formula
Name Kaempferol 3-[2''',3''',4'''-triacetyl-alpha-L-arabinopyranosyl-(1->6)-glucoside]
Formula C32H34O18
Mw 706.17451429
CAS RN 151193-58-7
C_ID C00005880 ,
InChIKey IOLQBAHNCVLDFS-HBJWTIHBNA-N
InChICode InChI=1S/C32H34O18/c1-12(33)45-21-11-44-32(30(47-14(3)35)28(21)46-13(2)34)43-10-20-23(39)25(41)26(42)31(49-20)50-29-24(40)22-18(38)8-17(37)9-19(22)48-27(29)15-4-6-16(36)7-5-15/h4-9,20-21,23,25-26,28,30-32,36-39,41-42H,10-11H2,1-3H3/t20-,21-,23+,25+,26+,28+,30+,31-,32+/m0/s1
SMILES CC(=O)OC1[C@H](OCC2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)[C@@H]2O)OC[C@H](OC(C)=O)[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeCalluna vulgaris Ref.
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