input word = C00002334

Metabolite InformationStructural formula
Name Decaline
Formula C26H31NO5
Mw 437.22022311
CAS RN 14727-56-1
C_ID C00002334 ,
InChIKey PXXNTAGJWPJAGM-SBRHRRSFNA-N
InChICode InChI=1S/C26H31NO5/c1-29-24-15-21-22-14-20(13-18-5-3-4-12-27(18)22)32-26(28)11-8-17-6-9-19(10-7-17)31-23(21)16-25(24)30-2/h6-7,9-10,15-16,18,20,22H,3-5,8,11-14H2,1-2H3/t18-,20-,22-/m0/s1
SMILES COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@@H]3CCCCN31)OC(=O)CCc1ccc(cc1)O2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeLythraceaeDecodon verticillata Ref.
PlantaeLythraceaeDecodon verticillatus Ref.
zoom in