input word = C00019121

Metabolite InformationStructural formula
Name 5,6,7,4'-Tetrahydroxy-8-methoxyisoflavone 7-O-glucoside
Formula C22H22O12
Mw 478.11112617
CAS RN 349152-33-6
C_ID C00019121 ,
InChIKey VWMPPGJQMLFNRK-YPYCZWQTNA-N
InChICode InChI=1S/C22H22O12/c1-31-21-19-12(13(25)10(7-32-19)8-2-4-9(24)5-3-8)15(27)17(29)20(21)34-22-18(30)16(28)14(26)11(6-23)33-22/h2-5,7,11,14,16,18,22-24,26-30H,6H2,1H3/t11-,14-,16+,18-,22+/m1/s1
SMILES c1(c(c(c2c(c1OC)occ(c2=O)c1ccc(cc1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus racemosus Ref.
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