KEGG   COMPOUND: C12418Help
Entry
C12418                      Compound                               

Name
Dihydro-NAME;
Dihydro-nogalonic acid methyl ester
Formula
C21H18O8
Exact mass
398.1002
Mol weight
398.3628
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01130  Biosynthesis of antibiotics
Other DBs
PubChem: 582808
ChEBI: 31486
3DMET: B05637
NIKKAJI: J1.203.620E
KCF data Show

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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