KEGG   COMPOUND: C19517Help
Entry
C19517                      Compound                               

Name
Rhodamine B
Formula
C28H31N2O3. Cl
Exact mass
478.2023
Mol weight
479.0103
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C19517  Rhodamine B
BRITE hierarchy
Other DBs
CAS: 
81-88-9
PubChem: 
ChEBI: 
LinkDB All DBs
KCF data Show

ATOM        34
            1   C8y C    24.6773  -14.6611
            2   C8x C    24.6773  -16.0581
            3   C8x C    25.8871  -16.7566
            4   C8y C    27.0970  -16.0581
            5   C8y C    27.0970  -14.6611
            6   C8x C    25.8871  -13.9626
            7   C8y C    28.3067  -16.7566
            8   C8y C    29.5165  -16.0581
            9   C8y C    29.5165  -14.6611
            10  O2x O    28.3067  -13.9626
            11  C8x C    30.7263  -16.7566
            12  C8x C    31.9362  -16.0581
            13  C8y C    31.9362  -14.6611
            14  C8x C    30.7263  -13.9626
            15  N2b N    33.1501  -13.9602 #+
            16  C1b C    34.3450  -14.6503
            17  C1b C    33.1501  -12.5658
            18  C1a C    34.3441  -11.8763
            19  C1a C    35.5287  -13.9669
            20  C8y C    28.3067  -18.7123
            21  C8x C    27.0989  -19.4096
            22  C8x C    27.0989  -20.8066
            23  C8x C    28.3087  -21.5051
            24  C8x C    29.5165  -20.8078
            25  C8y C    29.5165  -19.4108
            26  C6a C    30.7115  -18.7208
            27  O6a O    31.8973  -19.4054
            28  O6a O    30.7016  -17.5933
            29  N1c N    23.4675  -13.9626
            30  C1b C    22.2746  -14.6515
            31  C1b C    23.4674  -12.5658
            32  C1a C    22.2744  -11.8769
            33  C1a C    21.0897  -13.9675
            34  X   Cl   38.7800  -13.0200 #-
BOND        36
            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 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 1
            16    9  14 2
            17   13  15 2
            18   15  16 1
            19   15  17 1
            20   17  18 1
            21   16  19 1
            22    7  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   20  25 1
            29   25  26 1
            30   26  27 1
            31   26  28 2
            32    1  29 1
            33   29  30 1
            34   29  31 1
            35   31  32 1
            36   30  33 1

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