input word = C00027514

Metabolite InformationStructural formula
Name Aquifoline
Formula C36H38N2O6
Mw 594.27298696
CAS RN 107900-77-6
C_ID C00027514 ,
InChIKey UXKWTHAODKUNOC-YBFHJACQNA-N
InChICode InChI=1S/C36H38N2O6/c1-37-13-11-23-19-32(41-3)33-20-26(23)27(37)15-21-5-8-25(9-6-21)43-31-17-22(7-10-29(31)39)16-28-34-24(12-14-38(28)2)18-30(40)35(42-4)36(34)44-33/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28+/m0/s1
SMILES COc1cc2c3cc1Oc1c(OC)c(O)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeMahonia aquifolium Ref.
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