KEGG   COMPOUND: C11177Help
Entry
C11177                      Compound                               

Name
Rhodamine 6G
Formula
C28H31N2O3. Cl
Exact mass
478.2023
Mol weight
479.0103
Structure
Mol fileKCF fileDB search
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C11177  Rhodamine 6G
BRITE hierarchy
Other DBs
CAS: 989-38-8
PubChem: 13358
ChEBI: 52672
NIKKAJI: J252.839H
LinkDB All DBs
KCF data Show

ATOM        34
            1   C8x C    26.0955  -22.9284
            2   C8x C    26.0955  -21.5550
            3   C8y C    27.2850  -20.8647
            4   C8y C    28.4674  -21.5550
            5   C8x C    28.4674  -22.9284
            6   C8x C    27.2850  -23.6114
            7   C8y C    23.7423  -17.8223
            8   C8y C    23.7423  -16.4489
            9   C8x C    24.9317  -15.7586
            10  C8x C    24.9317  -18.5053
            11  C8y C    26.1212  -17.8223
            12  C8y C    26.1153  -16.4489
            13  O2x O    27.2989  -15.7533 #+
            14  C8y C    27.3109  -18.5001
            15  C8y C    28.4944  -17.8120
            16  C8y C    28.4817  -16.4421
            17  C8x C    29.6660  -15.7429
            18  C8y C    30.8556  -16.4203
            19  C8y C    30.8683  -17.7902
            20  C8x C    29.6912  -18.4822
            21  C7a C    29.6514  -20.8647
            22  O7a O    30.8347  -21.5621
            23  C1b C    32.0248  -20.8718
            24  C1a C    33.2080  -21.5690
            25  C1a C    32.0530  -18.4842
            26  N1b N    32.0390  -15.7303
            27  C1b C    33.2222  -16.4278
            28  C1a C    34.4125  -15.7374
            29  N1b N    22.5452  -15.7655
            30  C1b C    21.3549  -16.4558
            31  C1a C    20.1575  -15.7726
            32  C1a C    22.5452  -18.5053
            33  O6a O    29.7145  -19.4913
            34  X   Cl   27.3180  -13.5362 #-
BOND        36
            1     1   2 1
            2     2   3 2
            3     7   8 1
            4     8   9 2
            5    15  16 1
            6    16  17 1
            7    17  18 2
            8    18  19 1
            9    19  20 2
            10   20  15 1
            11   14   3 1
            12    9  12 1
            13    4  21 1
            14   11  10 1
            15   21  22 1
            16   10   7 2
            17   22  23 1
            18    3   4 1
            19   23  24 1
            20    4   5 2
            21   19  25 1
            22    5   6 1
            23   18  26 1
            24    6   1 2
            25   26  27 1
            26   11  12 2
            27   27  28 1
            28   12  13 1
            29    8  29 1
            30   13  16 2
            31   29  30 1
            32   15  14 2
            33   30  31 1
            34   14  11 1
            35    7  32 1
            36   21  33 2

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