input word = C00042757

Metabolite InformationStructural formula
Name N-(2,3-Dibromo-4,5-dihydroxybenzyl)pyroglutamic acid
(+)-N-(2,3-Dibromo-4,5-dihydroxybenzyl)pyroglutamic acid
Formula C13H13Br2NO5
Mw 420.91604833
CAS RN 853332-44-2
C_ID C00042757 ,
InChIKey ARCCBVHXHHINEZ-UHFFFAOYNA-N
InChICode InChI=1S/C13H13Br2NO5/c1-21-13(20)7-2-3-9(18)16(7)5-6-4-8(17)12(19)11(15)10(6)14/h4,7,17,19H,2-3,5H2,1H3/t7-/m0/s1
SMILES C1(=O)CC[C@H](N1Cc1cc(c(c(c1Br)Br)O)O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg
Organism
Kingdom Family Species Reference
--Rhodomela confervoides Ref.
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