KEGG   COMPOUND: C14719Help
Entry
C14719                      Compound                               

Name
Methallenestrilphenol;
N-3-(6-Hydroxy-2-naphthyl)-2,2-dimethylpentanoic acid;
alpha,alpha-Dimethyl-beta-ethylallenolic acid;
beta-Ethyl-6-hydroxy-alpha,alpha-dimethyl-2-naphthalenepropanoic acid
Formula
C17H20O3
Exact mass
272.1412
Mol weight
272.3389
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 15372-37-9
PubChem: 17395718
ChEBI: 34865
ChEMBL: CHEMBL1978410
NIKKAJI: J156.566D
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    24.6400  -21.1400
            2   C8y C    24.6400  -19.7400
            3   C8x C    23.4500  -21.8400
            4   C8x C    25.9000  -21.8400
            5   C8x C    23.4500  -18.9700
            6   C8x C    25.9000  -18.9700
            7   C8y C    22.2600  -21.1400
            8   C8x C    27.1600  -21.1400
            9   C8x C    22.2600  -19.7400
            10  C8y C    27.1600  -19.7400
            11  C1c C    28.3500  -18.9700
            12  O1a O    21.0000  -21.8400
            13  C1d C    29.6100  -19.7400
            14  C1b C    28.3500  -17.5700
            15  C1a C    27.1600  -16.8700
            16  C6a C    30.8000  -18.9700
            17  O6a O    31.9900  -19.7400
            18  O6a O    30.8000  -17.5700
            19  C1a C    28.9100  -20.7200
            20  C1a C    30.3100  -20.7200
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
            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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