KEGG   COMPOUND: C14718
Entry
C14718                      Compound                               
Name
Heptyl p-hydroxybenzoate;
Heptylparaben
Formula
C14H20O3
Exact mass
236.1412
Mol weight
236.3068
Structure
Other DBs
CAS: 1085-12-7
PubChem: 17395717
ChEBI: 34788
NIKKAJI: J87.217B
LinkDB
KCF data

ATOM        17
            1   C8x C    13.1600  -16.7300
            2   C8y C    13.1600  -18.1300
            3   C8x C    14.3724  -18.8300
            4   C8x C    15.5849  -18.1300
            5   C8y C    15.5849  -16.7300
            6   C8x C    14.3724  -16.0300
            7   O1a O    11.9476  -18.8300
            8   C7a C    16.8160  -16.0190
            9   O7a O    18.0212  -16.7147
            10  O6a O    16.8157  -14.6301
            11  C1b C    19.2035  -16.0319
            12  C1b C    20.3975  -16.7212
            13  C1b C    21.5854  -16.0352
            14  C1b C    22.7765  -16.7229
            15  C1b C    23.9659  -16.0361
            16  C1b C    25.1562  -16.7234
            17  C1a C    26.3461  -16.0363
BOND        17
            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   16  17 1

» Japanese version

DBGET integrated database retrieval system