KEGG   COMPOUND: C10770Help
Entry
C10770                      Compound                               

Name
Bilobol;
5-[(8Z)-Pentadec-8-en-1-yl]benzene-1,3-diol
Formula
C21H34O2
Exact mass
318.2559
Mol weight
318.4935
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 22910-86-7
PubChem: 12953
ChEBI: 3104
ChEMBL: CHEMBL461628
KNApSAcK: C00002640
NIKKAJI: J167.340H
KCF data Show

ATOM        23
            1   C8x C    22.5508  -19.5519
            2   C8y C    22.5508  -20.9548
            3   C8x C    23.7697  -21.6599
            4   C8y C    24.9745  -20.9548
            5   C8x C    24.9745  -19.5519
            6   C8y C    23.7697  -18.8538
            7   C1b C    26.1913  -21.6591
            8   C1b C    27.4017  -20.9479
            9   C1b C    28.6144  -21.6528
            10  C1b C    29.8272  -20.9479
            11  C1b C    31.0398  -21.6528
            12  C1b C    32.2526  -20.9479
            13  C1b C    33.4584  -21.6528
            14  C2b C    34.6711  -20.9479
            15  C2b C    34.6640  -19.5447
            16  C1b C    33.4444  -18.8528
            17  C1b C    32.2386  -19.5447
            18  C1b C    31.0258  -18.8467
            19  C1b C    29.8130  -19.5447
            20  C1b C    28.6004  -18.8467
            21  C1a C    27.3876  -19.5447
            22  O1a O    23.7715  -17.4507
            23  O1a O    21.3581  -21.6426
BOND        23
            1    10  11 1
            2     5   6 2
            3    11  12 1
            4     6   1 1
            5    12  13 1
            6    13  14 1
            7     4   7 1
            8    14  15 2
            9     1   2 2
            10   15  16 1
            11    7   8 1
            12   16  17 1
            13    2   3 1
            14   17  18 1
            15    8   9 1
            16   18  19 1
            17    3   4 2
            18   19  20 1
            19    9  10 1
            20   20  21 1
            21    4   5 1
            22    6  22 1
            23    2  23 1

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