KEGG   COMPOUND: C21323Help
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
Mol fileKCF fileDB search
Reaction
Pathway
map01059  Biosynthesis of enediyne antibiotics
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
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
KCF data Show

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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