KEGG   COMPOUND: C21957
Entry
C21957                      Compound                               
Name
Reumycin;
1-Demethyltoxoflavin
Formula
C6H5N5O2
Exact mass
179.0443
Mol weight
179.14
Structure
Reaction
R12157 R12158
Enzyme
2.1.1.349
Other DBs
CAS: 5016-18-2
PubChem: 376218990
PDB-CCD: AZ9[PDBj]
LinkDB
KCF data

ATOM        13
            1   N5x N    15.5922  -16.8542
            2   C8x C    15.5922  -15.4552
            3   N5x N    16.8513  -14.7557
            4   C8y C    18.0404  -15.4552
            5   C8y C    18.0404  -16.8542
            6   N5x N    16.8513  -17.5537
            7   C8y C    19.2296  -14.7557
            8   N4y N    20.4887  -15.4552
            9   C8y C    20.4887  -16.8542
            10  N4x N    19.2296  -17.5537
            11  O5x O    21.6778  -17.4837
            12  C1a C    21.6778  -14.7557
            13  O5x O    19.2296  -13.3567
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 2
            13    8  12 1
            14    7  13 2

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