KEGG   COMPOUND: C12432
Entry
C12432                      Compound                               

Name
Carminomycin
Formula
C26H27NO10
Exact mass
513.1635
Mol weight
513.4933
Structure
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
CAS: 39472-31-6
PubChem: 582822
ChEBI: 31359
ChEMBL: CHEMBL275147 CHEMBL474260
3DMET: B04512
NIKKAJI: J2.200.177I
KCF data

ATOM        37
            1   O2a O    26.2500  -17.5700
            2   C1y C    27.6500  -18.5500
            3   C1x C    27.6500  -19.8800
            4   O2x O    28.8400  -17.9200
            5   C1y C    28.8400  -20.5800
            6   C1y C    30.0300  -18.5500
            7   C1y C    30.0300  -19.8800
            8   N1a N    28.8400  -21.9100
            9   C1a C    31.1500  -17.9200
            10  O1a O    31.1500  -20.5800
            11  C1z C    27.4400  -13.5800
            12  O1a O    28.6300  -14.4900
            13  C5a C    28.6300  -12.8800
            14  O5a O    28.6300  -11.5500
            15  C8y C    23.9400  -12.8800
            16  C8x C    17.9900  -13.5100
            17  C8x C    19.1800  -12.8800
            18  C8y C    20.3700  -13.5800
            19  C5x C    21.5600  -12.8800
            20  C8y C    22.7500  -13.5800
            21  C8x C    17.9900  -15.1200
            22  C8y C    25.1300  -13.5800
            23  C1x C    26.3200  -12.8800
            24  C8y C    19.1800  -15.8200
            25  C8y C    20.3700  -15.1200
            26  C5x C    21.5600  -15.8200
            27  C8y C    22.7500  -15.1200
            28  C8y C    23.9400  -15.8200
            29  C8y C    25.1300  -15.1200
            30  C1y C    26.2500  -15.8200
            31  C1x C    27.4400  -15.1200
            32  O1a O    19.1800  -17.1500
            33  O5x O    21.5600  -17.1500
            34  O1a O    23.9400  -17.2200
            35  O5x O    21.5600  -11.5500
            36  O1a O    23.9400  -11.5500
            37  C1a C    29.8200  -13.5800
BOND        41
            1    19  20 1
            2    20  15 1
            3     6   7 1
            4    16  21 1
            5    15  22 2
            6     2   1 1 #Down
            7    22  23 1
            8    23  11 1
            9    11  12 1 #Down
            10   21  24 2
            11    2   3 1
            12   24  25 1
            13   11  13 1 #Up
            14   25  26 1
            15    2   4 1
            16   26  27 1
            17   13  14 2
            18   27  28 1
            19    3   5 1
            20   28  29 2
            21    4   6 1
            22   29  30 1
            23    5   7 1
            24   30  31 1
            25   16  17 2
            26   24  32 1
            27    5   8 1 #Up
            28   26  33 2
            29   17  18 1
            30   28  34 1
            31   30   1 1 #Down
            32   18  25 2
            33   20  27 2
            34   22  29 1
            35    6   9 1 #Up
            36   19  35 2
            37   11  31 1
            38   18  19 1
            39   15  36 1
            40    7  10 1 #Up
            41   13  37 1

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