input word = C00019313

Metabolite InformationStructural formula
Name Germanaism F
4'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone 4'-O-(2''-glucosyl-6''-rhamnosylglucoside)
Formula C35H42O20
Mw 782.22694379
CAS RN 696663-55-5
C_ID C00019313 ,
InChIKey WSMBOPLKCMDBPQ-DEKNFFQYNA-N
InChICode InChI=1S/C35H42O20/c1-12-21(37)25(41)28(44)33(51-12)48-10-19-24(40)27(43)32(55-34-29(45)26(42)23(39)18(8-36)53-34)35(54-19)52-14-5-3-13(4-6-14)15-9-47-16-7-17-30(50-11-49-17)31(46-2)20(16)22(15)38/h3-7,9,12,18-19,21,23-29,32-37,39-45H,8,10-11H2,1-2H3/t12-,18+,19-,21+,23-,24-,25-,26+,27+,28+,29-,32-,33-,34+,35-/m1/s1
SMILES c12c(c(c3c(c1)occ(c3=O)c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)C)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)OC)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris germanica Ref.
zoom in