KEGG   COMPOUND: C08489
Entry
C08489                      Compound                               
Name
(Z)-3,5-Hexadienyl butyrate
Formula
C10H16O2
Exact mass
168.1150
Mol weight
168.23
Structure
Other DBs
CAS: 69925-34-4
PubChem: 10682
ChEBI: 453
KNApSAcK: C00001312
NIKKAJI: J2.766.054A
LinkDB
KCF data

ATOM        12
            1   C7a C    25.4402  -19.8679
            2   O7a O    26.6620  -20.5694
            3   C1b C    24.2302  -20.5694
            4   O6a O    25.4402  -18.4590
            5   C1b C    27.8661  -19.8620
            6   C1b C    23.0084  -19.8679
            7   C1b C    29.0762  -20.5518
            8   C1a C    21.7924  -20.5694
            9   C2b C    30.2803  -19.8503
            10  C2b C    31.6833  -19.8503
            11  C2b C    32.8876  -20.5401
            12  C2a C    34.2847  -20.5401
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     6   8 1
            8     7   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2

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