input word = C00027816

Metabolite InformationStructural formula
Name Agelastatin D
Formula C11H11BrN4O3
Mw 326.00145315
CAS RN 201338-45-6
C_ID C00027816 ,
InChIKey AMKORUFKJJIBRU-RXVAPJTGNA-N
InChICode InChI=1S/C11H11BrN4O3/c12-6-2-1-4-9(17)13-7-5(16(4)6)3-11(19)8(7)14-10(18)15-11/h1-2,5,7-8,19H,3H2,(H,13,17)(H2,14,15,18)/t5-,7-,8+,11+/m1/s1
SMILES O=C1N[C@H]2[C@@H]3NC(=O)c4ccc(Br)n4[C@@H]3C[C@@]2(O)N1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeCymbastela sp. Ref.
--Lyngbya wollei Ref.
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