input word = C00026868

Metabolite InformationStructural formula
Name Rhopaladin C
Formula C21H13BrN4O2
Mw 432.02218859
CAS RN 212069-50-6
C_ID C00026868 ,
InChIKey SNEYVMRBISXTQK-WSVATBPTSA-N
InChICode InChI=1S/C21H13BrN4O2/c22-12-5-6-17-14(8-12)15(10-24-17)19(27)20-25-18(21(28)26-20)7-11-9-23-16-4-2-1-3-13(11)16/h1-10,23-24H,(H,25,26,28)/b18-7-
SMILES O=C1N=C(C(=O)c2c[nH]c3ccc(Br)cc23)N/C1=Cc1c[nH]c2ccccc12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
--Rhopalaea sp. Ref.
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