input word = C00054514

Metabolite InformationStructural formula
Name psi-Carpaine
Formula C28H50N2O4
Mw 478.3770581
CAS RN 3760-91-6
C_ID C00054514
InChIKey AMSCMASJCYVAIF-DUDJHTHVSA-N
InChICode InChI=1S/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3/t21-,22?,23+,24+,25-,26+/m0/s1
SMILES CC(N[C@@]1([H])CC2)[C@]2([H])OC(CCCCCCC[C@@](CC3)([H])N[C@H]([C@@]3([H])OC(CCCCCCC1)=O)C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaricaceaeCarica papaya Ref.
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