KEGG   COMPOUND: C14760Help
Entry
C14760                      Compound                               

Name
Amaranth;
Food red No.2
Formula
C20H11N2O10S3. 3Na
Exact mass
603.9269
Mol weight
604.473
Structure
Mol fileKCF fileDB search
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C14760  Amaranth
Pharmaceutical additives in Japan [BR:br08316]
 Coloring agent
  C14760  [102390] Food red No.2
BRITE hierarchy
Other DBs
CAS: 915-67-3
PubChem: 17395758
ChEBI: 34533
ChEMBL: CHEMBL2104005
NIKKAJI: J3.652H
KCF data Show

ATOM        38
            1   C8x C    22.5190  -17.8242
            2   C8y C    22.5190  -19.2145
            3   C8y C    23.7230  -19.9097
            4   C8y C    24.9272  -19.2145
            5   C8y C    24.9272  -17.8242
            6   C8y C    23.7230  -17.1290
            7   C8x C    21.3149  -19.9097
            8   C8y C    21.3149  -21.3001
            9   C8x C    22.5190  -21.9953
            10  C8x C    23.7230  -21.3001
            11  N2b N    26.1498  -19.9206
            12  N2b N    26.1495  -21.3000
            13  C8y C    27.3418  -21.9887
            14  C8y C    27.3416  -23.3854
            15  C8y C    28.5456  -24.0807
            16  C8y C    29.7498  -23.3857
            17  C8x C    29.7500  -21.9890
            18  C8x C    28.5460  -21.2936
            19  C8x C    26.1374  -24.0804
            20  C8x C    26.1372  -25.4708
            21  C8x C    27.3413  -26.1662
            22  C8x C    28.5454  -25.4711
            23  S4a S    30.9530  -24.0806
            24  O1d O    32.1125  -24.7760 #-
            25  O1d O    31.6259  -22.8990
            26  O1d O    30.2355  -25.2626
            27  O1a O    26.1498  -17.1181
            28  S4a S    23.7230  -15.7388
            29  O1d O    22.3104  -15.7386
            30  O1d O    25.0912  -15.7386
            31  O1d O    23.7008  -14.3482 #-
            32  S4a S    20.1276  -21.9857
            33  O1d O    19.2516  -20.7439
            34  O1d O    21.1286  -23.3161
            35  O1d O    19.0431  -22.8990 #-
            36  Z   Na   22.0323  -13.7921 #+
            37  Z   Na   16.8880  -22.9685 #+
            38  Z   Na   33.5724  -24.8455 #+
BOND        38
            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     2   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    3  10 1
            12    4  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   14  19 1
            22   19  20 2
            23   20  21 1
            24   21  22 2
            25   15  22 1
            26   16  23 1
            27   23  24 1
            28   23  25 2
            29   23  26 2
            30    5  27 1
            31    6  28 1
            32   28  29 2
            33   28  30 2
            34   28  31 1
            35    8  32 1
            36   32  33 2
            37   32  34 2
            38   32  35 1

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