KEGG   COMPOUND: C08595Help
Entry
C08595                      Compound                               

Name
Capensinidin
Formula
C18H17O7
Exact mass
345.0974
Mol weight
345.3234
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 19077-85-1
PubChem: 10788
ChEBI: 3367
3DMET: B02251
NIKKAJI: J2.682.783C
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8y C    25.5699  -21.2492
            2   C8y C    25.5758  -19.8506
            3   C8y C    24.3636  -21.9542
            4   C8x C    26.7820  -21.9601
            5   O2x O    26.7937  -19.1573 #+
            6   C8x C    24.3636  -19.1514
            7   C8x C    23.1517  -21.2492
            8   O2a O    24.3696  -23.3587
            9   C8y C    27.9999  -21.2608
            10  C8y C    28.0057  -19.8623
            11  C8y C    23.1517  -19.8506
            12  C1a C    23.1633  -24.0579
            13  O1a O    29.2062  -21.9718
            14  C8y C    29.2236  -19.1688
            15  O1a O    21.9397  -19.1514
            16  C8x C    30.4298  -19.8740
            17  C8x C    29.2236  -17.7704
            18  C8y C    31.6477  -19.1804
            19  C8y C    30.4415  -17.0711
            20  C8y C    31.6534  -17.7821
            21  O2a O    32.8480  -19.8856
            22  O2a O    30.4472  -15.6726
            23  O1a O    32.8597  -17.0828
            24  C1a C    34.0659  -19.1921
            25  C1a C    29.2352  -14.9674
BOND        27
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    6  11 2
            11    8  12 1
            12    9  13 1
            13   10  14 1
            14   11  15 1
            15   14  16 2
            16   14  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   18  21 1
            21   19  22 1
            22   20  23 1
            23   21  24 1
            24   22  25 1
            25    7  11 1
            26    9  10 1
            27   19  20 1

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