KEGG   COMPOUND: C21688
Entry
C21688                      Compound                               
Name
(3E,7E)-Dolathalia-3,7,11-triene;
(7E,11E)-3,3,7,11,13a-Pentamethy1-2,3,5,6,9,10,13,13a-octahydro-1H-benzo[11]annulene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.4681
Structure
Reaction
R11833
Enzyme
4.2.3.168
Other DBs
PubChem: 350078265
LinkDB
KCF data

ATOM        20
            1   C2x C    16.0446  -16.6816
            2   C1x C    14.8307  -17.3824
            3   C1x C    15.1220  -18.7535
            4   C2y C    16.5161  -18.9001
            5   C2x C    17.0863  -17.6195
            6   C2y C    16.0446  -15.2798
            7   C1x C    17.0357  -14.2887
            8   C1x C    18.4375  -14.2887
            9   C2y C    19.4287  -15.2798
            10  C1z C    19.4287  -16.6816
            11  C1x C    18.4881  -17.6195
            12  C1a C    17.2322  -20.1406
            13  C1a C    19.4287  -18.0833
            14  C1a C    14.7184  -14.7310
            15  C1x C    20.6411  -17.3816
            16  C1x C    21.8535  -16.6816
            17  C1z C    21.8535  -15.2798
            18  C2x C    20.6411  -14.5798
            19  C1a C    22.2159  -13.9275
            20  C1a C    23.2535  -15.2798
BOND        21
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    5  11 1
            11   11  10 1
            12    4  12 1
            13   10  13 1 #Up
            14    6  14 1
            15   10  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19    9  18 2
            20   17  19 1
            21   17  20 1

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