input word = C00064148

Metabolite InformationStructural formula
Name Peganumal A
Formula C12H13NO3S
Mw 251.06161402
CAS RN 2089046-75-1
C_ID C00064148
InChIKey JQKKUUCEMIOBIH-UHFFFAOYSA-N
InChICode InChI=1S/C12H13NO3S/c1-15-10-4-8(3-9-6-13-7-17-9)5-11(16-2)12(10)14/h4-7,14H,3H2,1-2H3
SMILES COc1cc(Cc2cncs2)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNitrariaceaePeganum harmala Ref.
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