KEGG   COMPOUND: C12431Help
Entry
C12431                      Compound                               

Name
13-Dihydrocarminomycin
Formula
C26H29NO10
Exact mass
515.1791
Mol weight
515.5092
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01130  Biosynthesis of antibiotics
Enzyme
Other DBs
CAS: 62182-86-9
PubChem: 582821
ChEBI: 31058
3DMET: B04511
NIKKAJI: J19.330E
KCF data Show

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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