input word = C00027676

Metabolite InformationStructural formula
Name 12-O-Demethyllauberine
Formula C36H38N2O6
Mw 594.27298696
CAS RN 123880-31-9
C_ID C00027676 ,
InChIKey ZRNIZOULGIUTLR-ZTMACLEXNA-N
InChICode InChI=1S/C36H38N2O6/c1-37-13-11-23-18-32(41-3)33-19-26(23)28(37)16-22-7-10-30(39)31(17-22)43-24-8-5-21(6-9-24)15-29-27-20-34(42-4)35(40)36(44-33)25(27)12-14-38(29)2/h5-10,17-20,28-29,39-40H,11-16H2,1-4H3/t28-,29+/m1/s1
SMILES COc1cc2c3cc1Oc1c(O)c(OC)cc4c1CCN(C)[C@H]4Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3N(C)CC2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeBerberis chilensis Ref.
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