input word = C00026866

Metabolite InformationStructural formula
Name Rhopaladin A
Formula C21H13BrN4O3
Mw 448.01710321
CAS RN 212069-48-2
C_ID C00026866 ,
InChIKey FSHRNFGLSJHPCT-DVZOWYKESA-N
InChICode InChI=1S/C21H13BrN4O3/c22-11-1-4-16-14(6-11)15(9-24-16)19(28)20-25-18(21(29)26-20)5-10-8-23-17-7-12(27)2-3-13(10)17/h1-9,23-24,27H,(H,25,26,29)/b18-5-
SMILES c1(ccc2c(c1)c(c[nH]2)C(=O)C1=NC(=O)/C(=C/c2c3c([nH]c2)cc(cc3)O)/N1)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Rhopalaea sp. Ref.
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OrganismRhopalaea sp.
ReferenceSato,Tetrahedron,54,(1998),8687