KEGG   COMPOUND: C08486
Entry
C08486                      Compound                               

Name
Ethyl(E,Z)-decadienoate;
(2E,4Z)-2,4-Decadienoic acid, ethyl ester;
Ethyl trans-2,cis-4-decadienoate
Formula
C12H20O2
Exact mass
196.1463
Mol weight
196.286
Structure
Other DBs
CAS: 3025-30-7
PubChem: 10679
ChEBI: 4896
ChEMBL: CHEMBL2229606
KNApSAcK: C00001309
NIKKAJI: J22.611D
KCF data

ATOM        14
            1   C2b C    25.5026  -20.6210
            2   C2b C    26.7163  -19.9150
            3   C7a C    24.2887  -19.9150
            4   C2b C    27.9359  -20.6210
            5   O7a O    23.0690  -20.6210
            6   O6a O    24.2887  -18.5144
            7   C2b C    29.2431  -20.6736
            8   C1b C    21.8553  -19.9150
            9   C1b C    30.4685  -19.8974
            10  C1a C    20.6414  -20.6210
            11  C1b C    31.6824  -20.6036
            12  C1b C    32.9078  -19.8974
            13  C1b C    34.1334  -20.6036
            14  C1a C    35.3529  -19.8974
BOND        13
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 2
            7     5   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1

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