input word = C00019124

Metabolite InformationStructural formula
Name 5,7,4'-Trihydroxy-6-methoxyisoflavone 7-O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranoside
Formula C27H30O15
Mw 594.15847029
CAS RN 231288-19-0
C_ID C00019124 ,
InChIKey MCYJIRFKDCXYCX-AFKNHFPCNA-N
InChICode InChI=1S/C27H30O15/c1-37-25-15(6-14-17(21(25)33)18(30)12(7-38-14)10-2-4-11(28)5-3-10)41-27-24(36)22(34)20(32)16(42-27)9-40-26-23(35)19(31)13(29)8-39-26/h2-7,13,16,19-20,22-24,26-29,31-36H,8-9H2,1H3/t13-,16+,19-,20+,22-,23-,24?,26-,27+/m0/s1
SMILES c1(c(c(c2c(c1)occ(c2=O)c1ccc(cc1)O)O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePueraria thunbergiana Ref.
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OrganismPueraria thunbergiana
ReferencePark,Phytochem.,51,(1999),147