KEGG   COMPOUND: C18359
Entry
C18359                      Compound                               
Name
Dihydrogranaticin
Formula
C22H22O10
Exact mass
446.1213
Mol weight
446.4041
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
    C18359  Dihydrogranaticin
Other DBs
CAS: 63999-06-4
PubChem: 124489033
ChEBI: 81705
KCF data

ATOM        32
            1   C8y C    27.4400  -11.1300
            2   C8y C    27.4400  -12.5300
            3   C5x C    28.6300  -10.5000
            4   C8y C    26.1800  -10.4300
            5   C5x C    28.6300  -13.3000
            6   C8y C    26.1800  -13.2300
            7   C2y C    29.8200  -11.2000
            8   O5x O    28.6300   -9.0300
            9   C8y C    24.9900  -11.1300
            10  O1a O    26.1800   -9.0300
            11  C2y C    29.8200  -12.5300
            12  C8y C    24.9900  -12.5300
            13  C1y C    31.0100  -10.5000
            14  O2x O    32.2700  -11.2000
            15  C1a C    31.0100   -9.0300
            16  O5x O    28.6300  -14.7000
            17  C1y C    32.2700  -12.6000
            18  C1x C    31.0100  -13.3000
            19  O1a O    26.1800  -14.6300
            20  C1z C    23.8000  -10.4300
            21  C1y C    22.5400  -11.1300
            22  C1x C    22.5400  -12.5300
            23  C1y C    23.8000  -13.2300
            24  O1a O    23.8000   -9.0300
            25  O1a O    23.8000  -11.8300
            26  C1y C    21.0700  -10.4300
            27  O2x O    21.0700  -13.2300
            28  C1a C    20.0900   -9.4500
            29  C1b C    33.4766  -13.3100
            30  C6a C    34.6863  -12.6247
            31  O6a O    35.9066  -13.3430
            32  O6a O    34.6976  -11.2002
BOND        36
            1     4  10 1
            2     5  11 1
            3     6  12 2
            4     7  13 1
            5    11  18 1
            6    13  14 1
            7    13  15 1 #Down
            8     7  11 2
            9     9  12 1
            10   14  17 1
            11    5  16 2
            12    1   2 2
            13    1   3 1
            14    1   4 1
            15    2   5 1
            16    2   6 1
            17   17  18 1
            18    3   7 1
            19    3   8 2
            20    4   9 2
            21    6  19 1
            22    9  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   12  23 1
            27   20  24 1 #Up
            28   21  25 1 #Up
            29   20  26 1
            30   23  27 1
            31   26  27 1
            32   26  28 1 #Down
            33   17  29 1 #Up
            34   29  30 1
            35   30  31 1
            36   30  32 2

» Japanese version

  All links  
Pathway (2)   
   KEGG PATHWAY (2)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
All databases (4)   

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