Viewing Compound With Structures

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Compound Report Overview

Compound Name: (S)-4-BROMOHOMOIBOTENIC ACID
Compound Identifier: 707375
Mol Structure 2D: 707375
Molecular Weight: 237
Formula: C5 H5 Br N2 O4
Development Status: Biochemical standard
SMILES: NC(C(=O)O)c1onc(O)c1Br
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222002D 0 0.00000 0.00000 0^^ 12 12 0 1 0 999 V2000^ -0.4625 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9208 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6125 -0.9917 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.3375 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8000 -0.8875 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.7833 -0.1542 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.0042 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0708 2.3708 0.0000 Br 0 0 0 0 0 0 0 0 0^ 2.0000 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.8292 -2.2917 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.1833 2.3958 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.2542 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0^ 2 1 2 0 0 0^ 3 1 1 0 0 0^ 4 2 1 0 0 0^ 5 1 1 0 0 0^ 6 3 1 0 0 0^ 7 5 1 0 0 0^ 8 2 1 0 0 0^ 9 7 2 0 0 0^ 5 10 1 1 0 0^ 11 4 1 0 0 0^ 12 7 1 0 0 0^ 6 4 2 0 0 0^M END^^
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