KEGG   COMPOUND: C12428
Entry
C12428                      Compound                               

Name
13-Deoxycarminomycin
Formula
C26H29NO9
Exact mass
499.1842
Mol weight
499.5098
Structure
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
CAS: 76034-18-9
PubChem: 582818
ChEBI: 31056
ChEMBL: CHEMBL481439
3DMET: B04508
NIKKAJI: J128.350B
KCF data

ATOM        36
            1   O2a O    25.4100  -17.7800
            2   C1y C    27.0900  -18.6200
            3   C1x C    27.0900  -19.9500
            4   O2x O    28.2800  -17.9900
            5   C1y C    28.2800  -20.6500
            6   C1y C    29.4700  -18.6200
            7   C1y C    29.4700  -19.9500
            8   N1a N    28.2800  -21.9800
            9   C1a C    30.5900  -17.9900
            10  O1a O    30.5900  -20.6500
            11  C1z C    26.6000  -14.0000
            12  O1a O    27.7200  -14.9100
            13  C1b C    27.7200  -13.3000
            14  C8y C    23.1000  -13.3000
            15  C8x C    17.1500  -14.0000
            16  C8x C    18.3400  -13.3000
            17  C8y C    19.5300  -14.0000
            18  C5x C    20.7200  -13.3000
            19  C8y C    21.9100  -14.0000
            20  C8x C    17.1500  -15.5400
            21  C8y C    24.2900  -14.0000
            22  C1x C    25.4800  -13.3000
            23  C8y C    18.3400  -16.2400
            24  C8y C    19.5300  -15.5400
            25  C5x C    20.7200  -16.2400
            26  C8y C    21.9100  -15.5400
            27  C8y C    23.1000  -16.2400
            28  C8y C    24.2900  -15.5400
            29  C1y C    25.4100  -16.2400
            30  C1x C    26.6000  -15.6100
            31  O1a O    18.3400  -17.5000
            32  O5x O    20.7200  -17.5700
            33  O1a O    23.1000  -17.5700
            34  O5x O    20.7200  -11.9700
            35  O1a O    23.1000  -11.9700
            36  C1a C    28.9800  -14.0000
BOND        40
            1    18  19 1
            2    19  14 1
            3     6   7 1
            4    15  20 1
            5    14  21 2
            6     2   1 1 #Down
            7    21  22 1
            8    22  11 1
            9    11  12 1 #Down
            10   20  23 2
            11    2   3 1
            12   23  24 1
            13   11  13 1 #Up
            14   24  25 1
            15    2   4 1
            16   25  26 1
            17   26  27 1
            18    3   5 1
            19   27  28 2
            20    4   6 1
            21   28  29 1
            22    5   7 1
            23   29  30 1
            24   15  16 2
            25   23  31 1
            26    5   8 1 #Up
            27   25  32 2
            28   16  17 1
            29   27  33 1
            30   29   1 1 #Down
            31   17  24 2
            32   19  26 2
            33   21  28 1
            34    6   9 1 #Up
            35   18  34 2
            36   11  30 1
            37   17  18 1
            38   14  35 1
            39    7  10 1 #Up
            40   13  36 1

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