Marvin  04210617222D          

 18 17  0  0  0  0            999 V2000
   -3.9678   -3.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2534   -3.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2534   -2.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5389   -2.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5389   -1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8244   -1.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8244   -0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1099    0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1099    1.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3955    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3190    1.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0335    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    1.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4624    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1769    1.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8914    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8914    2.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6058    1.0438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  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  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
> <ID>
CHEBI:35465

> <NAME>
(Z)-hexadec-7-enoic acid

> <DEFINITION>
A C16 fatty acid having a (Z)-double bond at the 7-position; marker of early life stage mortality in trout and of physiologically active autotrophic bacteria in complex microbial communities.

> <STAR>
3

> <SYNONYM>
hypogeic acid; C16:1(n=9); 7-hexadecenoic acid; 16:1 cis7; (Z)-7-hexadecenoic acid

> <IUPAC_NAME>
(7Z)-hexadec-7-enoic acid

> <FORMULA>
C16H30O2

> <MASS>
254.40820

> <MONOISOTOPIC_MASS>
254.22458

> <CHARGE>
0

> <SMILES>
CCCCCCCC\C=C/CCCCCC(O)=O

> <INCHI>
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10H,2-8,11-15H2,1H3,(H,17,18)/b10-9-

> <INCHIKEY>
PJHOFUXBXJNUAC-KTKRTIGZSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1909930

> <CAS_REGISTRY_NUMBER>
2416-19-5

> <CHEMIDPLUS>
2416-19-5

> <PUBMED_CITATION>
14641595; 20218500

$$$$