input word = C00064149

Metabolite InformationStructural formula
Name Peganumal B
Formula C13H15NO3S
Mw 265.07726408
CAS RN 2089046-76-2
C_ID C00064149
InChIKey MASPXGQYJJGYNQ-UHFFFAOYSA-N
InChICode InChI=1S/C13H15NO3S/c1-8-14-7-10(18-8)4-9-5-11(16-2)13(15)12(6-9)17-3/h5-7,15H,4H2,1-3H3
SMILES COc1cc(Cc2cnc(C)s2)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNitrariaceaePeganum harmala Ref.
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