input word = C00024525

Metabolite InformationStructural formula
Name Cimicidine
Cimicidin
Formula C23H28N2O5
Mw 412.19982202
CAS RN 7096-81-3
C_ID C00024525 ,
InChIKey HVTPIQKJZSQSLM-RCJSFMLVNA-N
InChICode InChI=1S/C23H28N2O5/c1-3-17(26)25-16-7-9-21-8-4-11-24-12-10-22(16,23(21,24)30-18(27)13-21)14-5-6-15(29-2)20(28)19(14)25/h5-6,16,28H,3-4,7-13H2,1-2H3/t16-,21-,22-,23+/m1/s1
SMILES CCC(=O)N1c2c(ccc(OC)c2O)[C@]23CCN4CCC[C@@]5(CC[C@@H]12)CC(=O)O[C@@]453
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHaplophyton cimicidum A.DC. Ref.
PlantaeApocynaceaeHaplophyton crooksii Ref.
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OrganismHaplophyton crooksii
ReferenceMroue,J.Nat.Prod.,59,(1996).890