KEGG   COMPOUND: C18166Help
Entry
C18166                      Compound                               

Name
Enterodiol
Formula
C18H22O4
Exact mass
302.1518
Mol weight
302.3649
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
80226-00-2
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8y C    12.6000  -18.2000
            2   C8x C    12.6000  -19.6000
            3   C8x C    13.8124  -20.3000
            4   C8x C    15.0249  -19.6000
            5   C8y C    15.0249  -18.2000
            6   C8x C    13.8124  -17.5000
            7   C1b C    16.2624  -17.5000
            8   C1c C    17.4749  -18.2000
            9   C1c C    18.6873  -17.5000
            10  C1b C    19.8997  -18.2000
            11  C8y C    21.1122  -17.5000
            12  C8x C    22.3453  -18.2122
            13  C8y C    23.5579  -17.5124
            14  C8x C    23.5581  -16.1124
            15  C8x C    22.3250  -15.4002
            16  C8x C    21.1124  -16.1000
            17  C1b C    18.6873  -16.1000
            18  C1b C    17.4749  -19.5998
            19  O1a O    19.9018  -15.3988
            20  O1a O    16.2813  -20.2890
            21  O1a O    24.7885  -18.2237
            22  O1a O    11.3876  -17.5000
BOND        23
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18    9  17 1 #Down
            19    8  18 1 #Down
            20   17  19 1
            21   18  20 1
            22   13  21 1
            23    1  22 1

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