input word = C00048854

Metabolite InformationStructural formula
Name Simplexidine
(-)-Simplexidine
Formula C15H21NO2
Mw 247.15722892
CAS RN 1056399-77-9
C_ID C00048854 ,
InChIKey GARKGNZODVUQDA-VOTSOKGWNA-N
InChICode InChI=1S/C15H22NO2/c1-4-6-7-8-12(5-2)13-9-10-16(3)11-14(13)15(17)18/h6-7,9-12H,4-5,8H2,1-3H3,(H,17,18)/b7-6+/t12-/m0/s1
SMILES c1(c(ccn(c1)C)[C@H](C/C=C/CC)CC)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPlakinidaePlakortis simplex Ref.
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