input word = C00025060

Metabolite InformationStructural formula
Name (+)-Andrangine
Formula C20H22N2O4
Mw 354.15795721
CAS RN 2772-65-8
C_ID C00025060 ,
InChIKey PRMLMLPGVSRYNB-UHFFFAOYNA-N
InChICode InChI=1S/C20H22N2O4/c23-16-2-6-21-5-1-12-11-7-14-15(26-10-25-14)8-13(11)22-17(24)9-19(16)3-4-20(12,22)18(19)21/h7-8,12,16,18,23H,1-6,9-10H2/t12-,16-,18-,19-,20+/m0/s1
SMILES O=C1CC23CCC45C(CCN(CCC2O)C34)c2cc3c(cc2N15)OCO3
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Lys
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCraspidospermum verticillatum Ref.
PlantaeApocynaceaeCrioceras dipladeniiflorus Ref.
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