KEGG   COMPOUND: C08395
Entry
C08395                      Compound                               
Name
Aethusin;
2,8,10-Tridecatriene-4,6-diyne
Formula
C13H14
Exact mass
170.1096
Mol weight
170.2503
Structure
Other DBs
CAS: 463-34-3
PubChem: 10591
ChEBI: 2501
KNApSAcK: C00001272
NIKKAJI: J2.368.101C
LinkDB
KCF data

ATOM        13
            1   C3b C    28.0000  -18.4916
            2   C2b C    26.7867  -17.7974
            3   C3b C    29.2133  -19.1976
            4   C2b C    25.5674  -18.4916
            5   C3b C    30.4326  -19.8976
            6   C2b C    24.3539  -17.7974
            7   C3b C    31.6461  -20.6034
            8   C2b C    23.1463  -18.4916
            9   C2b C    32.8537  -21.2976
            10  C1b C    21.9270  -17.7974
            11  C2b C    34.0730  -20.6034
            12  C1a C    20.7137  -18.4916
            13  C1a C    35.2863  -21.2976
BOND        12
            1     1   2 1
            2     1   3 3
            3     2   4 2
            4     3   5 1
            5     4   6 1
            6     5   7 3
            7     6   8 2
            8     7   9 1
            9     8  10 1
            10    9  11 2
            11   10  12 1
            12   11  13 1

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