input word = C00014327

Metabolite InformationStructural formula
Name 4'-Hydroxy-5,7-dimethoxyflavanone 4'-[2-(5-Cinnamoyl)-beta-D-apiofuranosyl]glucoside
Formula C37H40O15
Mw 724.23672061
CAS RN 488760-66-3
C_ID C00014327 ,
InChIKey HKFNELROGJXSLF-UPPMLKQGNA-N
InChICode InChI=1S/C37H40O15/c1-45-23-14-26(46-2)30-24(39)16-25(50-27(30)15-23)21-9-11-22(12-10-21)49-35-33(32(42)31(41)28(17-38)51-35)52-36-34(43)37(44,19-48-36)18-47-29(40)13-8-20-6-4-3-5-7-20/h3-15,25,28,31-36,38,41-44H,16-19H2,1-2H3/b13-8+/t25-,28+,31+,32-,33+,34+,35+,36-,37-/m0/s1
SMILES c1(cc2c(c(c1)OC)C(=O)C[C@H](O2)c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@](O)(COC(=O)/C=C/c2ccccc2)CO1)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSantalaceaeViscum album subsp. album Ref.
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