input word = C00019116

Metabolite InformationStructural formula
Name Germanaism A
4'-Hydroxy-5,3'-dimethoxy-6,7-methylenedioxyisoflavone 4'-O-glucoside
Formula C24H24O12
Mw 504.12677623
CAS RN 471271-89-3
C_ID C00019116 ,
InChIKey KLWNTVOUNRWTLN-AFLGQCTDNA-N
InChICode InChI=1S/C24H24O12/c1-30-13-5-10(3-4-12(13)35-24-21(29)20(28)19(27)16(7-25)36-24)11-8-32-14-6-15-22(34-9-33-15)23(31-2)17(14)18(11)26/h3-6,8,16,19-21,24-25,27-29H,7,9H2,1-2H3/t16-,19-,20+,21+,24-/m1/s1
SMILES c1(c2c(cc3c1OCO3)occ(c2=O)c1ccc(c(c1)OC)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris germanica Ref.
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