KEGG   COMPOUND: C12427Help
Entry
C12427                      Compound                               

Name
10-Carboxy-13-deoxycarminomycin;
D 788-1
Formula
C27H29NO11
Exact mass
543.1741
Mol weight
543.5193
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01130  Biosynthesis of antibiotics
Other DBs
CAS: 97583-07-8
PubChem: 582817
ChEBI: 31047
3DMET: B04507
NIKKAJI: J91.946B
KCF data Show

ATOM        39
            1   O2a O    26.8800  -17.8500
            2   C1y C    28.2100  -18.8300
            3   C1x C    28.2100  -20.1600
            4   O2x O    29.4000  -18.1300
            5   C1y C    29.4000  -20.8600
            6   C1y C    30.5200  -18.8300
            7   C1y C    30.5200  -20.1600
            8   N1a N    29.4000  -22.1900
            9   C1a C    31.7100  -18.1300
            10  O1a O    31.7100  -20.8600
            11  C1z C    28.0700  -13.8600
            12  O1a O    29.1900  -14.8400
            13  C1b C    29.1900  -13.2300
            14  C8y C    24.5000  -13.1600
            15  C8x C    18.5500  -13.8600
            16  C8x C    19.7400  -13.1600
            17  C8y C    20.9300  -13.8600
            18  C5x C    22.1200  -13.1600
            19  C8y C    23.3100  -13.8600
            20  C8x C    18.5500  -15.4000
            21  C8y C    25.6900  -13.8600
            22  C1y C    26.8800  -13.1600
            23  C8y C    19.7400  -16.1000
            24  C8y C    20.9300  -15.4700
            25  C5x C    22.1200  -16.1000
            26  C8y C    23.3100  -15.4700
            27  C8y C    24.5000  -16.1000
            28  C8y C    25.6900  -15.4700
            29  C1y C    26.8800  -16.1700
            30  C1x C    28.0700  -15.4700
            31  O1a O    19.7400  -17.5000
            32  O5x O    22.1200  -17.5000
            33  O1a O    24.5000  -17.5000
            34  O5x O    22.1200  -11.8300
            35  C6a C    26.8800  -11.8300
            36  O6a O    25.7600  -11.2000
            37  O6a O    28.0000  -11.2000
            38  O1a O    24.5000  -11.8300
            39  C1a C    30.3945  -13.9435
BOND        43
            1     6   7 1
            2    15  20 1
            3    14  21 2
            4     2   1 1 #Down
            5    21  22 1
            6    22  11 1
            7    11  12 1 #Down
            8    20  23 2
            9     2   3 1
            10   23  24 1
            11   11  13 1 #Up
            12   24  25 1
            13    2   4 1
            14   25  26 1
            15   26  27 1
            16    3   5 1
            17   27  28 2
            18    4   6 1
            19   28  29 1
            20    5   7 1
            21   29  30 1
            22   15  16 2
            23   23  31 1
            24    5   8 1 #Up
            25   25  32 2
            26   16  17 1
            27   27  33 1
            28   29   1 1 #Down
            29   17  24 2
            30   19  26 2
            31   21  28 1
            32    6   9 1 #Up
            33   18  34 2
            34   11  30 1
            35   17  18 1
            36   22  35 1 #Up
            37    7  10 1 #Up
            38   35  36 2
            39   18  19 1
            40   35  37 1
            41   19  14 1
            42   14  38 1
            43   13  39 1

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