KEGG   COMPOUND: C14888
Entry
C14888                      Compound                               
Name
(+)-Methallenestrilphenol;
(+)-3-(6-Hydroxy-2-naphthyl)-2,2-dimethylpentanoic acid;
(+)-beta-Ethyl-6-hydroxy-alpha,alpha-dimethyl-2-naphthalenepropanoic acid
Formula
C17H20O3
Exact mass
272.1412
Mol weight
272.3389
Structure
Other DBs
PubChem: 17395886
ChEBI: 79415
NIKKAJI: J1.707.866F
LinkDB
KCF data

ATOM        20
            1   C8y C    24.6471  -21.1461
            2   C8y C    24.6471  -19.7457
            3   C8x C    23.4567  -21.8463
            4   C8x C    25.9074  -21.8463
            5   C8x C    23.4567  -18.9754
            6   C8x C    25.9074  -18.9754
            7   C8y C    22.2664  -21.1461
            8   C8x C    27.1678  -21.1461
            9   C8x C    22.2664  -19.7457
            10  C8y C    27.1678  -19.7457
            11  C1c C    28.3581  -18.9754
            12  O1a O    21.0060  -21.8463
            13  C1d C    29.6185  -19.7457
            14  C1b C    28.3581  -17.5750
            15  C1a C    27.1678  -16.8748
            16  C6a C    30.8088  -18.9754
            17  O6a O    31.9992  -19.7457
            18  O6a O    30.8088  -17.5750
            19  C1a C    28.9183  -20.7259
            20  C1a C    30.3187  -20.7259
BOND        21
            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     4   8 2
            8     5   9 2
            9     6  10 2
            10    7   9 1
            11    8  10 1
            12   10  11 1
            13    7  12 1
            14   11  13 1
            15   11  14 1 #Up
            16   14  15 1
            17   13  16 1
            18   16  17 1
            19   16  18 2
            20   13  19 1
            21   13  20 1

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