input word = C00025813

Metabolite InformationStructural formula
Name Coclobine
(+)-Coclobine
Formula C37H38N2O6
Mw 606.27298696
CAS RN 24306-65-8
C_ID C00025813 ,
InChIKey VKYYZOPCSAFKST-UHFFFAOYNA-N
InChICode InChI=1S/C37H38N2O6/c1-39-15-13-25-20-34(42-4)36(43-5)37-35(25)29(39)17-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)40-2)16-28-27-21-33(45-37)31(41-3)19-24(27)12-14-38-28/h6-11,18-21,29H,12-17H2,1-5H3/t29-/m1/s1
SMILES c12ccc(cc1)Oc1c(ccc(c1)CC1=NCCc3c1cc(c(c3)OC)Oc1c3[C@@H](C2)N(CCc3cc(c1OC)OC)C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeAnisocycla cymosa Troupin Ref.
PlantaeMenispermaceaeCocculus trilobus DC. Ref.
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