Mrv0541 03031510542D          

 22 21  0  0  0  0            999 V2000
    3.0014  -15.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7153  -14.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7159  -14.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4299  -13.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1437  -13.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8577  -13.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5717  -13.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2856  -13.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9995  -13.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7135  -13.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4274  -13.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1420  -13.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8592  -13.9825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1394  -12.7449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5738  -13.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4281  -12.7638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0025  -16.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7189  -16.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7199  -17.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4363  -17.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517  -17.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8682  -17.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
 11 12  1  0  0  0  0
  1  2  1  0  0  0  0
 12 13  1  0  0  0  0
  6  7  1  0  0  0  0
 12 14  2  0  0  0  0
  3  4  1  0  0  0  0
 13 15  1  0  0  0  0
  7  8  1  0  0  0  0
  4 16  1  0  0  0  0
  1 17  2  0  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
  4  5  1  0  0  0  0
 18 19  1  0  0  0  0
  9 10  1  0  0  0  0
 19 20  2  0  0  0  0
  2  3  2  0  0  0  0
 20 21  1  0  0  0  0
 10 11  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <ID>
CHEBI:66038

> <NAME>
(10E,12Z,15Z)-9-hydroxy-10,12,15-octadecatrienoic acid methyl ester

> <DEFINITION>
A fatty acid methyl ester isolated from leaves and twigs of Ehretia dicksonii. It exhibits anti-inflammatory and inhibition of lipoxygenase activities.

> <STAR>
3

> <IUPAC_NAME>
methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate

> <FORMULA>
C19H32O3

> <MASS>
308.45560

> <MONOISOTOPIC_MASS>
308.23514

> <CHARGE>
0

> <SMILES>
CC\C=C/C\C=C/C=C/C(O)CCCCCCCC(=O)OC

> <INCHI>
InChI=1S/C19H32O3/c1-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19(21)22-2/h4-5,7,9,12,15,18,20H,3,6,8,10-11,13-14,16-17H2,1-2H3/b5-4-,9-7-,15-12+

> <INCHIKEY>
MTOOOXVLHAITCG-RUDXKNGCSA-N

> <REAXYS_REGISTRY_NUMBER>
2335185

> <PUBMED_CITATION>
10830513

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