input word = C00031323

Metabolite InformationStructural formula
Name Scrophuloside A
Formula C24H26O10
Mw 474.15259705
CAS RN 886061-50-3
C_ID C00031323 ,
InChIKey ZZDJNPFVWSOKTO-BBGJESGHNA-N
InChICode InChI=1S/C24H26O10/c1-13(25)15-6-9-17(18(11-15)31-2)33-24-23(30)22(29)21(28)19(34-24)12-32-20(27)10-5-14-3-7-16(26)8-4-14/h3-11,19,21-24,26,28-30H,12H2,1-2H3/b10-5+/t19-,21+,22+,23-,24-/m1/s1
SMILES [C@H]1([C@H]([C@H]([C@H](O[C@H]1Oc1c(cc(cc1)C(=O)C)OC)COC(=O)/C=C/c1ccc(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeNeopicrorhiza scrophulariiflora Ref.
zoom in