input word = C00027421

Metabolite InformationStructural formula
Name Neocephaeline
(-)-Neocephaeline
Formula C28H38N2O4
Mw 466.28315772
CAS RN 261515-30-4
C_ID C00027421 ,
InChIKey VGVMWYKSFWBRKQ-ZIGGYPCNNA-N
InChICode InChI=1S/C28H38N2O4/c1-5-17-16-30-11-9-19-14-25(33-3)26(34-4)15-21(19)23(30)13-20(17)12-22-27-18(8-10-29-22)6-7-24(32-2)28(27)31/h6-7,14-15,17,20,22-23,29,31H,5,8-13,16H2,1-4H3/t17-,20-,22+,23-/m0/s1
SMILES c1c(c(c2c(c1)CCN[C@@H]2C[C@H]1C[C@@H]2N(C[C@@H]1CC)CCc1c2cc(c(c1)OC)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium lamarckii Ref.
PlantaeRubiaceaeCephaelis acuminata Ref.
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