KEGG   COMPOUND: C12431
Entry
C12431                      Compound                               

Name
13-Dihydrocarminomycin
Formula
C26H29NO10
Exact mass
515.1791
Mol weight
515.5092
Structure
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
CAS: 62182-86-9
PubChem: 582821
ChEBI: 31058
3DMET: B04511
NIKKAJI: J19.330E
KCF data

ATOM        37
            1   O2a O    26.2500  -17.2900
            2   C1y C    27.7200  -18.2700
            3   C1x C    27.7200  -19.6000
            4   O2x O    28.9100  -17.5700
            5   C1y C    28.9100  -20.3000
            6   C1y C    30.1000  -18.2700
            7   C1y C    30.1000  -19.6000
            8   N1a N    28.9100  -21.6300
            9   C1a C    31.2200  -17.5700
            10  O1a O    31.2200  -20.3000
            11  C1z C    27.4400  -13.5100
            12  O1a O    28.6300  -14.5600
            13  C1c C    28.6300  -12.8800
            14  O1a O    28.6300  -11.5500
            15  C8y C    23.9400  -12.8800
            16  C8x C    17.9900  -13.5100
            17  C8x C    19.1800  -12.8100
            18  C8y C    20.3700  -13.5100
            19  C5x C    21.5600  -12.8800
            20  C8y C    22.7500  -13.5100
            21  C8x C    17.9900  -15.1200
            22  C8y C    25.1300  -13.5100
            23  C1x C    26.3200  -12.8800
            24  C8y C    19.1800  -15.7500
            25  C8y C    20.3700  -15.1200
            26  C5x C    21.5600  -15.7500
            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  -17.1500
            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 1
            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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