input word = C00005335

Metabolite InformationStructural formula
Name Herbacetin 3-glucoside
Formula C21H20O12
Mw 464.09547611
CAS RN 24543-51-9
C_ID C00005335 ,
InChIKey QJYQMBFUUOFGHP-URLGRIGENA-N
InChICode InChI=1S/C21H20O12/c22-6-11-14(27)16(29)17(30)21(31-11)33-20-15(28)12-9(24)5-10(25)13(26)19(12)32-18(20)7-1-3-8(23)4-2-7/h1-5,11,14,16-17,21-27,29-30H,6H2/t11-,14-,16+,17-,21+/m1/s1
SMILES c1(cc(c2c(c1O)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePapaveraceaeMeconopsis paniculata Ref.
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