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
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

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