input word = C00027579

Metabolite InformationStructural formula
Name O-Methylisothalicberine
Formula C38H42N2O6
Mw 622.30428709
CAS RN 19879-44-8
C_ID C00027579 ,
InChIKey UUURWWVPMHAACP-SPFVONBBNA-N
InChICode InChI=1S/C38H42N2O6/c1-39-15-13-25-20-34-32(42-4)22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m0/s1
SMILES COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeBerberis glauca Ref.
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