KEGG   COMPOUND: C12418
Entry
C12418                      Compound                               

Name
Dihydro-NAME;
Dihydro-nogalonic acid methyl ester
Formula
C21H18O8
Exact mass
398.1002
Mol weight
398.3628
Structure
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
Other DBs
PubChem: 582808
ChEBI: 31486
3DMET: B05637
NIKKAJI: J1.203.620E
KCF data

ATOM        29
            1   C8x C    11.6900  -17.8500
            2   C8x C    11.6900  -19.2500
            3   C8y C    12.9024  -19.9500
            4   C8y C    14.1149  -19.2500
            5   C8y C    14.1149  -17.8500
            6   C8x C    12.9024  -17.1500
            7   C5x C    15.3273  -19.9500
            8   C8y C    16.5397  -19.2500
            9   C8y C    16.5397  -17.8500
            10  C5x C    15.3273  -17.1500
            11  C8y C    17.7522  -19.9500
            12  C8y C    18.9646  -19.2500
            13  C8y C    18.9646  -17.8500
            14  C8x C    17.7522  -17.1500
            15  O5x O    15.3273  -15.7500
            16  O5x O    15.3273  -21.3500
            17  C5a C    20.1824  -19.9500
            18  C1b C    21.3949  -19.2500
            19  C1c C    22.6073  -19.9500
            20  C1a C    23.8197  -19.2500
            21  C1b C    20.1824  -16.8700
            22  C7a C    21.3949  -17.5700
            23  O7a O    22.6073  -16.8700
            24  C1a C    23.8197  -17.5700
            25  O6a O    21.3949  -18.7124
            26  O1a O    12.9024  -21.3498
            27  O1a O    17.7522  -21.3497
            28  O5a O    20.1838  -21.3498
            29  O1a O    22.6073  -21.3500
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   10  15 2
            18    7  16 2
            19   12  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   13  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   22  25 2
            28    3  26 1
            29   11  27 1
            30   17  28 2
            31   19  29 1

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