KEGG   COMPOUND: C06691Help
Entry
C06691                      Compound                               

Name
Actinorhodin;
Actinorhodine
Formula
C32H26O14
Exact mass
634.1323
Mol weight
634.5404
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Biosynthesis of type II polyketide products
Biosynthesis of antibiotics
Brite
Compounds with biological roles [BR:br08001]
 Antibiotics
  Polyketides and nonribosomal peptides
   Other polyketides
    C06691  Actinorhodine
BRITE hierarchy
Other DBs
CAS: 
1397-77-9
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        46
            1   C8y C    24.7100  -16.7300
            2   C8y C    25.4100  -17.9900
            3   C5x C    25.4100  -15.5400
            4   C8y C    23.3100  -16.7300
            5   C5x C    26.8100  -17.9900
            6   C8y C    24.7100  -19.1800
            7   C2y C    26.8100  -15.5400
            8   O5x O    24.7100  -14.3500
            9   C8y C    22.6100  -17.9900
            10  O1a O    22.6100  -15.5400
            11  C2y C    27.5100  -16.8000
            12  O5x O    27.5100  -19.1800
            13  C8x C    23.3100  -19.1800
            14  O1a O    25.4100  -20.3700
            15  C1y C    27.5100  -14.3500
            16  C8y C    21.2100  -17.9900
            17  C1x C    28.9100  -16.8000
            18  O2x O    28.9100  -14.3500
            19  C1a C    26.8100  -13.1600
            20  C8y C    20.5100  -16.7300
            21  C8x C    20.5100  -19.1800
            22  C1y C    29.6100  -15.6100
            23  C8y C    19.1100  -16.7300
            24  O1a O    21.2100  -15.5400
            25  C8y C    19.1100  -19.1800
            26  C1b C    31.0100  -15.6100
            27  C8y C    18.4100  -17.9900
            28  C5x C    18.4100  -15.5400
            29  O1a O    18.4100  -20.4400
            30  C6a C    31.7100  -14.3500
            31  C5x C    17.0100  -17.9900
            32  C2y C    17.0100  -15.5400
            33  O5x O    19.1100  -14.3500
            34  O6a O    33.1100  -14.3500
            35  O6a O    31.0100  -13.1600
            36  C2y C    16.3100  -16.8000
            37  O5x O    16.3100  -19.1800
            38  C1y C    16.3100  -14.3500
            39  C1x C    14.9100  -16.8000
            40  O2x O    14.9100  -14.3500
            41  C1a C    17.0100  -13.0900
            42  C1y C    14.2100  -15.5400
            43  C1b C    12.8100  -15.5400
            44  C6a C    12.0400  -14.3500
            45  O6a O    10.6400  -14.3500
            46  O6a O    12.8100  -13.0900
BOND        51
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15    9  16 1
            16   11  17 1
            17   15  18 1
            18   15  19 1 #Up
            19   16  20 2
            20   16  21 1
            21   17  22 1
            22   20  23 1
            23   20  24 1
            24   21  25 2
            25   22  26 1 #Down
            26   23  27 2
            27   23  28 1
            28   25  29 1
            29   26  30 1
            30   27  31 1
            31   28  32 1
            32   28  33 2
            33   30  34 1
            34   30  35 2
            35   31  36 1
            36   31  37 2
            37   32  38 1
            38   36  39 1
            39   38  40 1
            40   38  41 1 #Down
            41   39  42 1
            42   42  43 1 #Up
            43   43  44 1
            44   44  45 1
            45   44  46 2
            46    7  11 2
            47    9  13 1
            48   18  22 1
            49   25  27 1
            50   32  36 2
            51   40  42 1

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