input word = C00006363

Metabolite InformationStructural formula
Name 4'-O-Methylpuerarin
Puerarin 4'-methyl ether
Formula C22H22O9
Mw 430.1263823
CAS RN 92117-94-7
C_ID C00006363 ,
InChIKey UWRLUNPRLSNXRR-PLAKOYNZNA-N
InChICode InChI=1S/C22H22O9/c1-29-11-4-2-10(3-5-11)13-9-30-21-12(17(13)25)6-7-14(24)16(21)22-20(28)19(27)18(26)15(8-23)31-22/h2-7,9,15,18-20,22-24,26-28H,8H2,1H3/t15-,18-,19+,20-,22+/m1/s1
SMILES c1(ccc2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)occ(c2=O)c1ccc(cc1)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePueraria lobata Ref.
PlantaeFabaceaePueraria sp. Ref.
PlantaeFabaceaePueraria thomsonii Ref.
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