KEGG   COMPOUND: C17590
Entry
C17590                      Compound                               

Name
Catechin;
(+/-)-Catechin
Formula
C15H14O6
Exact mass
290.079
Mol weight
290.2681
Structure
Other DBs
PubChem: 96023935
ChEBI: 23053
ChEMBL: CHEMBL206452
NIKKAJI: J21.708E J9.391B
KCF data

ATOM        21
            1   C1y C    36.1200  -26.2500
            2   C8y C    37.3800  -25.5500
            3   O2x O    34.9300  -25.5500
            4   C1y C    36.1200  -27.6500
            5   C8x C    37.3800  -24.1500
            6   C8x C    38.5700  -26.3200
            7   C8y C    33.7400  -26.2500
            8   C1x C    34.9300  -28.3500
            9   O1a O    37.3800  -28.3500
            10  C8y C    38.5700  -23.4500
            11  C8x C    39.8300  -25.6200
            12  C8y C    33.7400  -27.6500
            13  C8x C    32.4800  -25.5500
            14  C8y C    39.8300  -24.2200
            15  O1a O    38.5700  -22.1200
            16  C8y C    32.4800  -28.3500
            17  C8y C    31.2900  -26.2500
            18  O1a O    41.0200  -23.5200
            19  C8x C    31.2900  -27.6500
            20  O1a O    32.4800  -29.7500
            21  O1a O    30.1000  -25.5500
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 1
            12    7  13 2
            13   10  14 1
            14   10  15 1
            15   12  16 2
            16   13  17 1
            17   14  18 1
            18   16  19 1
            19   16  20 1
            20   17  21 1
            21    8  12 1
            22   11  14 2
            23   17  19 2

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