KEGG   COMPOUND: C14698
Entry
C14698                      Compound                               
Name
4-Heptylphenol;
4-n-Heptylphenol;
p-Heptylphenol;
p-Hydroxyheptylbenzene
Formula
C13H20O
Exact mass
192.1514
Mol weight
192.2973
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK15 Phenolic lipids
   PK1501 Alkyl phenols and derivatives
    C14698  4-Heptylphenol
Other DBs
CAS: 1987-50-4
PubChem: 17395697
ChEBI: 34438
PDB-CCD: EPT[PDBj]
NIKKAJI: J141.393G
LinkDB
KCF data

ATOM        14
            1   C8x C    22.2260  -19.9247
            2   C8y C    22.2260  -21.3282
            3   C8x C    23.4414  -22.0299
            4   C8x C    24.6568  -21.3282
            5   C8y C    24.6568  -19.9247
            6   C8x C    23.4414  -19.2230
            7   O1a O    21.0106  -22.0299
            8   C1b C    25.8910  -19.2120
            9   C1b C    27.0991  -19.9094
            10  C1b C    28.2843  -19.2249
            11  C1b C    29.4812  -19.9159
            12  C1b C    30.6705  -19.2298
            13  C1b C    31.8835  -19.9305
            14  C1a C    33.0626  -19.2502
BOND        14
            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    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1

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