KEGG   COMPOUND: C06799
Entry
C06799                      Compound                               
Name
Granaticin
Formula
C22H20O10
Exact mass
444.1056
Mol weight
444.3882
Structure
Pathway
map01057  Biosynthesis of type II polyketide products
map01110  Biosynthesis of secondary metabolites
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1303 Benzoisochromanquinones
    C06799  Granaticin
Secondary metabolites in pathway maps [br08011.html]
 Biosynthetic pathways and modules of secondary metabolites
  C06799
Other DBs
CAS: 19879-06-2
PubChem: 9018
ChEBI: 5533
KNApSAcK: C00018030
NIKKAJI: J54.000E
KCF data

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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