KEGG   COMPOUND: C21323
Entry
C21323                      Compound                               

Name
3-Hydroxy-7,8-dimethoxy-6-isopropoxy-2-naphthoate;
3-Hydroxy-7,8-dimethoxy-6-isopropoxy-2-naphthoic acid
Formula
C16H18O6
Exact mass
306.1103
Mol weight
306.3105
Structure
Reaction
Pathway
map01059  Biosynthesis of enediyne antibiotics
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00831  Kedarcidin 2-hydroxynaphthoate moiety biosynthesis, malonyl-CoA => 3,6,8-trihydroxy-2-naphthoate => 3-hydroxy-7,8-dimethoxy-6-isopropoxy-2-naphthoyl-CoA
Other DBs
PubChem: 319902570
LinkDB
KCF data

ATOM        22
            1   C8y C    16.2162  -14.3887
            2   C8y C    16.2162  -15.7932
            3   C8y C    17.4324  -16.4955
            4   C8y C    18.6487  -15.7932
            5   C8y C    18.6487  -14.3887
            6   C8x C    17.4324  -13.6865
            7   C8x C    19.8650  -16.4955
            8   C8y C    21.0812  -15.7932
            9   C8y C    21.0812  -14.3887
            10  C8x C    19.8650  -13.6865
            11  O1a O    22.2827  -13.6950
            12  C6a C    22.2827  -16.4869
            13  O6a O    23.4748  -15.7987
            14  O6a O    22.2828  -17.8995
            15  O2a O    14.9999  -13.6865
            16  O2a O    14.9916  -16.5007
            17  C1c C    13.7933  -14.3831
            18  C1a C    14.9921  -17.8757
            19  O2a O    17.4327  -17.8755
            20  C1a C    18.6627  -18.5855
            21  C1a C    12.5641  -13.6738
            22  C1a C    13.7934  -15.7500
BOND        23
            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 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    9  11 1
            13    8  12 1
            14   12  13 1
            15   12  14 2
            16    1  15 1
            17    2  16 1
            18   15  17 1
            19   16  18 1
            20    3  19 1
            21   19  20 1
            22   17  21 1
            23   17  22 1

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