input word = C00063535

Metabolite InformationStructural formula
Name Paniculidine A
Formula C14H17NO2
Mw 231.12592879
CAS RN 97399-93-4
C_ID C00063535
InChIKey OSINFMIOMWBGDS-UHFFFAOYSA-N
InChICode InChI=1S/C14H17NO2/c1-10(14(16)17-2)7-8-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3;InChI=1S/C14H17NO2/c1-10(14(16)17-2)7-8-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3/t10-/m1/s1;InChI=1S/C14H17NO2/c1-10(14(16)17-2)7-8-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3/t10-/m0/s1
SMILES COC(=O)C(C)CCc1c[nH]c2ccccc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMurraya paniculata Ref.
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