input word = C00004201

Metabolite InformationStructural formula
Name Acacetin 7-glucoside
Apigenin 4'-methyl ether 7-glucoside
tilianin
moldavoside
Formula C22H22O10
Mw 446.12129692
CAS RN 4291-60-5
C_ID C00004201 ,
InChIKey NLZCOTZRUWYPTP-OXFOAJKANA-N
InChICode InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19+,20-,21+,22+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarduus nutans Ref.
PlantaeMalvaceaeTilia japonica Ref.
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