KEGG   COMPOUND: C14716Help
Entry
C14716                      Compound                               

Name
2-Ethylhexyl-4-hydroxybenzoate
Formula
C15H22O3
Exact mass
250.1569
Mol weight
250.3334
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 5153-25-3
PubChem: 17395715
ChEBI: 34274
ChEMBL: CHEMBL3183756
NIKKAJI: J151.186F
KCF data Show

ATOM        18
            1   C8x C    13.7900  -18.0600
            2   C8y C    13.7900  -19.4600
            3   C8x C    15.0024  -20.1600
            4   C8x C    16.2149  -19.4600
            5   C8y C    16.2149  -18.0600
            6   C8x C    15.0024  -17.3600
            7   O1a O    12.5776  -20.1600
            8   C7a C    17.4460  -17.3490
            9   O7a O    18.6512  -18.0447
            10  O6a O    17.4457  -15.9601
            11  C1b C    19.8335  -17.3619
            12  C1c C    21.0275  -18.0512
            13  C1b C    22.2154  -17.3652
            14  C1b C    23.4065  -18.0529
            15  C1b C    24.5959  -17.3661
            16  C1a C    25.7862  -18.0534
            17  C1b C    21.0277  -19.4597
            18  C1a C    22.2194  -20.1478
BOND        18
            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     2   7 1
            8     5   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   12  17 1
            18   17  18 1

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