input word = C00025415

Metabolite InformationStructural formula
Name Pandine
(+)-Pandine
Formula C21H24N2O3
Mw 352.17869265
CAS RN 55855-14-6
C_ID C00025415 ,
InChIKey SLUFFIKFMLYKDM-LJXFQOPONA-N
InChICode InChI=1S/C21H24N2O3/c1-3-20(25)10-11-14-15(19(24)26-2)16-21(8-9-23(17(11)21)18(14)20)12-6-4-5-7-13(12)22-16/h4-7,11,14,17-18,22,25H,3,8-10H2,1-2H3/t11-,14+,17-,18-,20-,21-/m1/s1
SMILES CC[C@@]1(O)CC2[C@H]3C(C(=O)OC)=C4Nc5ccccc5C45CCN([C@H]25)[C@H]31
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeErvatamia lifuana Ref.
PlantaeApocynaceaeErvatamia orientalis Ref.
PlantaeApocynaceaePandaca caducifolia Ref.
PlantaeApocynaceaeStenosolen heterophyllus Ref.
PlantaeApocynaceaeTabernaemontana calcarea Pichon Ref.
PlantaeApocynaceaeTabernaemontana citrifolia Ref.
PlantaeApocynaceaeTabernaemontana debrayi (Mgf.) Leeuwenberg Ref.
PlantaeApocynaceaeTabernaemontana orientalis R.Br. Ref.
PlantaeApocynaceaeTabernaemontana pandacaqui Ref.
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