input word = C00054512

Metabolite InformationStructural formula
Name 12,13-Didehydrocarpaine
Formula C28H48N2O4
Mw 476.36140804
CAS RN 72362-02-8
C_ID C00054512
InChIKey KGQYREIAHMZYSA-UVNLRGGCSA-N
InChICode InChI=1S/C28H48N2O4/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/h21,23-26,29H,3-20H2,1-2H3/t21-,23+,24+,25-,26-/m0/s1
SMILES CC1=N[C@@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@H]3C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaricaceaeCarica papaya Ref.
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