input word = C00038522

Metabolite InformationStructural formula
Name Aspidophylline A
(-)-Aspidophylline A
Formula C21H24N2O4
Mw 368.17360727
CAS RN 958247-22-8
C_ID C00038522 ,
InChIKey NKMFTVSMLXLPDB-XSNGHVMFNA-N
InChICode InChI=1S/C21H24N2O4/c1-3-13-11-23(12-24)17-10-14(13)18(19(25)26-2)20-8-9-27-21(17,20)22-16-7-5-4-6-15(16)20/h3-7,12,14,17-18,22H,8-11H2,1-2H3/b13-3-/t14-,17-,18-,20-,21-/m0/s1
SMILES C1/C(=C/C)/[C@H]2[C@H]([C@@]34[C@@]([C@@H](N1C=O)C2)(Nc1c3cccc1)OCC4)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeKopsia singapurensis Ref.
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OrganismKopsia singapurensis
ReferenceSubramaniam,J.Nat.Prod.,70,(2007),1783