KEGG   COMPOUND: C06799Help
Entry
C06799                      Compound                               

Name
Granaticin
Formula
C22H20O10
Exact mass
444.1056
Mol weight
444.3882
Structure
Mol fileKCF fileDB search
Pathway
map01057  Biosynthesis of type II polyketide products
map01130  Biosynthesis of antibiotics
Other DBs
CAS: 19879-06-2
PubChem: 9018
ChEBI: 5533
ChEMBL: CHEMBL3334761
KNApSAcK: C00018030
NIKKAJI: J54.000E
KCF data Show

ATOM        32
            1   C8y C    30.1700  -23.4500
            2   C8y C    30.1700  -22.1900
            3   C1z C    28.9800  -24.1500
            4   C8y C    31.2900  -24.1500
            5   C1y C    28.9800  -21.5600
            6   C8y C    31.2900  -21.5600
            7   C1y C    27.8600  -23.4500
            8   C1y C    26.2500  -24.1500
            9   O1a O    29.0500  -25.4800
            10  C8y C    32.4100  -23.4500
            11  O1a O    31.2900  -25.4800
            12  C1x C    27.8600  -22.1900
            13  O2x O    26.2500  -21.5600
            14  C8y C    32.4100  -22.1900
            15  O1a O    31.2900  -20.3000
            16  O1a O    28.9800  -22.8200
            17  C1a C    25.3400  -25.0600
            18  C5x C    33.5300  -24.1500
            19  C5x C    33.5300  -21.5600
            20  C2y C    34.7200  -23.4500
            21  O5x O    33.5300  -25.4800
            22  C2y C    34.7200  -22.1900
            23  O5x O    33.5300  -20.3000
            24  C1y C    35.8400  -24.1500
            25  C1y C    35.8400  -21.5600
            26  O2x O    36.9600  -23.4500
            27  C1a C    35.8400  -25.4800
            28  C1y C    36.9600  -22.1900
            29  O7x O    36.1200  -20.2300
            30  C1x C    37.9400  -21.2800
            31  C7x C    37.5900  -20.2300
            32  O6a O    38.2200  -19.1800
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Down
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1
            13    6  14 1
            14    6  15 1
            15    7  16 1 #Down
            16    8  17 1 #Up
            17   10  18 1
            18   14  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   19  23 2
            23   20  24 1
            24   22  25 1
            25   24  26 1
            26   24  27 1 #Up
            27   25  28 1
            28   25  29 1
            29   28  30 1
            30   29  31 1
            31   31  32 2
            32    7  12 1
            33    8  13 1
            34   10  14 2
            35   20  22 2
            36   26  28 1
            37   30  31 1

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