input word = C00025494

Metabolite InformationStructural formula
Name Gitingensine
Formula C21H31NO2
Mw 329.23547924
CAS RN 13084-70-3
C_ID C00025494 ,
InChIKey LFGPYDIPRZAYQB-YCSMIKTPNA-N
InChICode InChI=1S/C21H31NO2/c1-12-16-5-6-18-15-4-3-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)19(23)24-12/h3,12,14-18H,4-11,22H2,1-2H3/t12-,14+,15+,16+,17-,18-,20-,21-/m0/s1
SMILES C[C@@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC=C5C[C@H](N)CC[C@@]54C)[C@@H]2CC[C@H]13
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeKibatalia gitingensis Ref.
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OrganismKibatalia gitingensis
ReferenceCave,Ann.Pharm.Fr.,25,(1967),107

Aguilar-Santos,J.Org.Chem.,32,(1967),2642