input word = C00028331

Metabolite InformationStructural formula
Name Hanishin
Formula C11H12Br2N2O3
Mw 377.92146806
CAS RN 196303-62-5
C_ID C00028331 ,
InChIKey ZUYPAYZEOBAJDN-UHFFFAOYNA-N
InChICode InChI=1S/C11H12Br2N2O3/c1-2-18-9(16)3-6-5-14-11(17)8-4-7(12)10(13)15(6)8/h4,6H,2-3,5H2,1H3,(H,14,17)/t6-/m0/s1
SMILES CCOC(=O)CC1CNC(=O)c2cc(Br)c(Br)n21
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMelastomataceaeAcanthella carterie Ref.
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OrganismAcanthella carterie
ReferenceMancini,Tetrahedron Lett.,38,(1997),6271