KEGG   COMPOUND: C11178Help
Entry
C11178                      Compound                               

Name
Resazurin
Formula
C12H7NO4
Exact mass
229.0375
Mol weight
229.1883
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 550-82-3
PubChem: 13359
ChEBI: 8806
ChEMBL: CHEMBL1616414
NIKKAJI: J13.744H
KCF data Show

ATOM        17
            1   C8x C    24.3752  -19.5605
            2   C8y C    24.3752  -18.1584
            3   C8x C    25.5932  -17.4539
            4   C8x C    25.5932  -20.2580
            5   C8y C    26.8043  -19.5605
            6   C8y C    26.7983  -18.1584
            7   O2x O    28.0106  -17.4489
            8   N5y N    28.0224  -20.2528 #+
            9   C8y C    29.1645  -19.5502
            10  C8y C    29.2220  -18.1518
            11  C8x C    30.4276  -17.4382
            12  C8y C    31.6461  -18.1300
            13  C8x C    31.6587  -19.5284
            14  C8x C    30.4528  -20.2351
            15  O1a O    23.1633  -17.4610
            16  O5x O    32.8440  -17.4257
            17  O3a O    28.0283  -21.6549 #-
BOND        19
            1     7  10 1
            2     9   8 2
            3     8   5 1
            4     3   6 2
            5     5   4 2
            6     4   1 1
            7     1   2 2
            8     9  10 1
            9    10  11 2
            10   11  12 1
            11   12  13 1
            12   13  14 2
            13   14   9 1
            14    2   3 1
            15    2  15 1
            16    5   6 1
            17   12  16 2
            18    6   7 1
            19    8  17 1

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