input word = C00041991

Metabolite InformationStructural formula
Name (+)-10-Hydroxyisotrilobine
Formula C36H36N2O6
Mw 592.2573369
CAS RN 862587-52-8
C_ID C00041991 ,
InChIKey PWHKMZBEXOATRH-OBXPXUJENA-N
InChICode InChI=1S/C36H36N2O6/c1-37-13-11-21-17-29-30-19-25(21)26(37)16-23-7-10-28(40-3)34(33(23)39)42-24-8-5-20(6-9-24)15-27-32-22(12-14-38(27)2)18-31(41-4)35(43-29)36(32)44-30/h5-10,17-19,26-27,39H,11-16H2,1-4H3/t26-,27-/m0/s1
SMILES c12c3c(cc4c1[C@@H](N(CC4)C)Cc1ccc(cc1)Oc1c(c(C[C@H]4c5cc(O2)c(O3)cc5CCN4C)ccc1OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeCocculus orbiculatus Ref.
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OrganismCocculus orbiculatus
ReferenceChang,J.Nat.Prod.,68,(2005),1056