input word = C00018999

Metabolite InformationStructural formula
Name 2'',6''-O-Diacetyloninin
7-Hydroxy-4'-methoxyisoflavone 7-O-(2'',6''-diacetylglucoside)
Formula C26H26O11
Mw 514.14751167
CAS RN 441045-22-3
C_ID C00018999 ,
InChIKey WAYQNCRYBDCMOP-IVBGPWMANA-N
InChICode InChI=1S/C26H26O11/c1-13(27)33-12-21-23(30)24(31)25(35-14(2)28)26(37-21)36-17-8-9-18-20(10-17)34-11-19(22(18)29)15-4-6-16(32-3)7-5-15/h4-11,21,23-26,30-31H,12H2,1-3H3/t21-,23+,24-,25-,26+/m0/s1
SMILES c1(ccc2c(c1)occ(c2=O)c1ccc(cc1)OC)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)COC(=O)C)O)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max Ref.
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