KEGG   COMPOUND: C12469Help
Entry
C12469                      Compound                               

Name
3-Amino-4,7-dihydroxy-8-chlorocoumarin
Formula
C9H6ClNO4
Exact mass
226.9985
Mol weight
227.6012
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00401  Novobiocin biosynthesis
map01130  Biosynthesis of antibiotics
Other DBs
PubChem: 582859
ChEBI: 31105
NIKKAJI: J2.783.680A
KCF data Show

ATOM        15
            1   C8y C    28.5737  -18.7000
            2   C8y C    28.5737  -17.3220
            3   C8y C    29.7633  -19.3833
            4   O7x O    27.3714  -19.4007
            5   C8y C    27.3655  -16.6330
            6   C8x C    29.7633  -16.6272
            7   C8y C    30.9469  -18.7000
            8   C8y C    26.1702  -18.7116
            9   C8y C    26.1586  -17.3163
            10  O1a O    27.3655  -15.2667
            11  C8x C    30.9469  -17.3220
            12  O6a O    24.9923  -19.3949
            13  N1a N    24.5617  -16.7215
            14  O1a O    32.1449  -19.3892
            15  X   Cl   29.7648  -20.7749
BOND        16
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 2
            6     4   8 1
            7     5   9 2
            8     5  10 1
            9     6  11 2
            10    8  12 2
            11    9  13 1
            12    7  11 1
            13    8   9 1
            14    7  14 1
            15    1   2 2
            16    3  15 1

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