KEGG   COMPOUND: C10664Help
Entry
C10664                      Compound                               

Name
Acetosyringone
Formula
C10H12O4
Exact mass
196.0736
Mol weight
196.1999
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 2478-38-8
PubChem: 12847
ChEBI: 2404
ChEMBL: CHEMBL224146
KNApSAcK: C00002686
3DMET: B04040
NIKKAJI: J55.026D
KCF data Show

ATOM        14
            1   C8x C    26.7992  -19.1797
            2   C8y C    26.7992  -20.5801
            3   C8y C    28.0158  -21.2767
            4   C8y C    29.2254  -20.5801
            5   C8x C    29.2254  -19.1797
            6   C8y C    28.0158  -18.4761
            7   O1a O    28.0175  -22.6770
            8   O2a O    30.4394  -21.2758
            9   O2a O    25.5860  -21.2774
            10  C5a C    28.0175  -17.0758
            11  C1a C    29.2321  -16.3807
            12  O5a O    26.8048  -16.3776
            13  C1a C    31.6525  -20.5782
            14  C1a C    24.3721  -20.5812
BOND        14
            1     3   7 1
            2     1   2 1
            3     4   8 1
            4     2   3 2
            5     2   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    8  13 1
            14    9  14 1

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