input word = C00028651

Metabolite InformationStructural formula
Name N-Deacetylisoretuline
Formula C19H24N2O
Mw 296.1888634
CAS RN 13941-27-0
C_ID C00028651 ,
InChIKey GNFMIIWVXDLWDU-QKLQZZLPNA-N
InChICode InChI=1S/C19H24N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h2-6,13-14,17-18,20,22H,7-11H2,1H3/b12-2-/t13-,14+,17-,18-,19+/m0/s1
SMILES C/C=C1/CN2CC[C@]34c5ccccc5N[C@H]3[C@H](CO)[C@H]1C[C@H]24
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos panganensis Ref.
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