input word = C00038335

Metabolite InformationStructural formula
Name 9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Formula C40H42O12
Mw 714.26762681
CAS RN 56973-66-1
C_ID C00038335 ,
InChIKey MOFDLYLEJWQRHD-GDMHDWSQNA-N
InChICode InChI=1S/C40H42O12/c1-47-35-19-25(5-11-31(35)41)9-15-39(45)51-23-29(17-27-7-13-33(43)37(21-27)49-3)30(18-28-8-14-34(44)38(22-28)50-4)24-52-40(46)16-10-26-6-12-32(42)36(20-26)48-2/h5-16,19-22,29-30,41-44H,17-18,23-24H2,1-4H3/b15-9+,16-10+/t29-,30-/m0/s1
SMILES [C@@H]([C@@H](Cc1ccc(c(c1)OC)O)COC(=O)/C=C/c1cc(c(cc1)O)OC)(COC(=O)/C=C/c1cc(c(cc1)O)OC)Cc1ccc(c(c1)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMicrotropis japonica Ref.
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