Marvin  08140817452D          

 12 11  0  0  0  0            999 V2000
    3.4645    1.9563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4645    1.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1789    0.7188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    0.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    0.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    1.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4961    0.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2184    1.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9329    0.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6474    1.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3618    0.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0763    1.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <ID>
CHEBI:50466

> <NAME>
cis-2-decenoic acid

> <DEFINITION>
A 2-decenoic acid having its double bond in the cis configuration.

> <STAR>
3

> <SYNONYM>
cis-dec-2-enoic acid; C10:1, n-8 cis; 2-cis-decenoic acid; 10:1, n-8 cis; (Z)-dec-2-enoic acid; (Z)-2-Decensaeure; (Z)-2-decenoic acid

> <IUPAC_NAME>
(2Z)-dec-2-enoic acid

> <FORMULA>
C10H18O2

> <MASS>
170.24872

> <MONOISOTOPIC_MASS>
170.13068

> <CHARGE>
0

> <SMILES>
CCCCCCC\C=C/C(O)=O

> <INCHI>
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8-

> <INCHIKEY>
WXBXVVIUZANZAU-HJWRWDBZSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1721990

> <REAXYS_REGISTRY_NUMBER>
1721990

> <PUBMED_CITATION>
19074399

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