KEGG   COMPOUND: C07728Help
Entry
C07728                      Compound                               

Name
3-Isochromanone;
1,4-Dihydro-3H-2-benzopyran-3-one
Formula
C9H8O2
Exact mass
148.0524
Mol weight
148.1586
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.14.12.-
Other DBs
CAS: 4385-35-7
PubChem: 9930
ChEMBL: CHEMBL447815
3DMET: B01100
NIKKAJI: J13.284E
LinkDB All DBs
KCF data Show

ATOM        11
            1   C8y C    24.5765  -16.5677
            2   C8y C    24.5996  -17.9711
            3   C1x C    25.7818  -15.8397
            4   C8x C    23.3418  -15.8863
            5   C1x C    25.8343  -18.6466
            6   C8x C    23.3944  -18.6932
            7   C7x C    27.0048  -16.6027
            8   C8x C    22.1480  -16.6084
            9   O7x O    27.0398  -17.9128
            10  C8x C    22.1013  -18.0118
            11  O6a O    28.2219  -15.9038
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     6  10 2
            10    7  11 2
            11    7   9 1
            12    8  10 1

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