input word = C00064463

Metabolite InformationStructural formula
Name Spectaline
Formula C20H39NO2
Mw 325.2980795
CAS RN 64384-95-8
C_ID C00064463
InChIKey
InChICode InChI=1S/C20H39NO2/c1-17-15-16-19(21-20(17)23)14-12-10-8-6-4-3-5-7-9-11-13-18(2)22/h17,19-21,23H,3-16H2,1-2H3;InChI=1S/C20H39NO2/c1-17-15-16-19(21-20(17)23)14-12-10-8-6-4-3-5-7-9-11-13-18(2)22/h17,19-21,23H,3-16H2,1-2H3/t17-,19+,20-/m0/s1
SMILES CC(=O)CCCCCCCCCCCCC1CCC(C)C(O)N1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia spectabilis Ref.
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