KEGG   COMPOUND: C12072
Entry
C12072                      Compound                               
Name
Gardneral
Formula
C20H22N2O2
Exact mass
322.1681
Mol weight
322.4009
Structure
Other DBs
PubChem: 14224
ChEBI: 29586
NIKKAJI: J2.780.208G
LinkDB
KCF data

ATOM        24
            1   C8x C    24.2900  -17.5700
            2   C8y C    24.2900  -18.9700
            3   C8x C    25.5024  -19.6700
            4   C8y C    26.7149  -18.9700
            5   C8y C    26.7149  -17.5700
            6   C8x C    25.5024  -16.8700
            7   N4x N    27.9273  -19.6700
            8   C8y C    29.1397  -18.9700
            9   C8y C    29.1397  -17.5700
            10  C1y C    30.3522  -19.6700
            11  N1y N    31.5646  -18.9700
            12  C1y C    31.5646  -17.5700
            13  C1x C    30.3522  -16.8700
            14  C1x C    30.3522  -21.0700
            15  C1y C    31.5646  -21.7700
            16  C2y C    32.7770  -21.0700
            17  C1x C    32.7770  -19.6700
            18  C2b C    33.9895  -21.7700
            19  C1a C    33.9895  -23.1700
            20  C1y C    32.7770  -16.8700
            21  C4a C    31.7871  -15.8801
            22  O4a O    30.3871  -15.8801
            23  O2a O    23.0776  -19.6700
            24  C1a C    21.8651  -18.9700
BOND        28
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    9  13 1
            16   10  14 1
            17   14  15 1
            18   15  16 1
            19   16  17 1
            20   11  17 1
            21   16  18 2
            22   18  19 1
            23   12  20 1 #Up
            24   15  20 1 #Up
            25   20  21 1
            26   21  22 2
            27    2  23 1
            28   23  24 1

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