input word = C00038042

Metabolite InformationStructural formula
Name (-)-3-O-Acetylspectaline
Formula C22H41NO3
Mw 367.30864418
CAS RN 709046-67-3
C_ID C00038042 ,
InChIKey LRKWDKCSHJWJST-CDUOCLCGNA-N
InChICode InChI=1S/C22H41NO3/c1-18(24)14-12-10-8-6-4-5-7-9-11-13-15-21-16-17-22(19(2)23-21)26-20(3)25/h19,21-23H,4-17H2,1-3H3/t19-,21+,22-/m1/s1
SMILES [C@H]1(CC[C@@H](N[C@@H]1C)CCCCCCCCCCCCC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia spectabilis Ref.
PlantaeFabaceaeSenna spectabilis Ref.
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