KEGG   COMPOUND: C10680Help
Entry
C10680                      Compound                               

Name
2',6'-Dihydroxy-4'-methoxyacetophenone;
4-O-Methylphloracetophenone
Formula
C9H10O4
Exact mass
182.0579
Mol weight
182.1733
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 7507-89-3
PubChem: 12863
ChEMBL: CHEMBL490514
KNApSAcK: C00002694
3DMET: B04055
NIKKAJI: J122.209K
KCF data Show

ATOM        13
            1   C8y C    26.7962  -18.8542
            2   C8x C    26.7962  -20.2540
            3   C8y C    28.0123  -20.9573
            4   C8x C    29.2213  -20.2540
            5   C8y C    29.2213  -18.8542
            6   C8y C    28.0123  -18.1579
            7   O1a O    30.4349  -18.1587
            8   O1a O    25.5834  -18.1572
            9   O2a O    28.0140  -22.3571
            10  C5a C    28.0140  -16.7581
            11  C1a C    29.2281  -16.0564
            12  O5a O    26.8017  -16.0533
            13  C1a C    26.8017  -23.0549
BOND        13
            1     5   7 1
            2     1   2 1
            3     1   8 1
            4     2   3 2
            5     3   9 1
            6     3   4 1
            7     6  10 1
            8     4   5 2
            9    10  11 1
            10    5   6 1
            11   10  12 2
            12    6   1 2
            13    9  13 1

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