LMFA01050307
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   20.9025    7.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7736    6.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9025    8.0985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0250    6.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1471    7.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2692    6.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3912    7.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5133    6.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6354    7.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7575    6.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8794    7.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0015    7.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1235    8.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2457    7.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3678    8.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4898    7.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6119    8.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7340    7.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8562    8.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9782    7.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7821    5.8025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  3  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 10 21  1  0     0  0
M  END
> <LM_ID>
LMFA01050307

> <COMMON_NAME>
Agonandric acid

> <SYSTEMATIC_NAME>
8-hydroxy-11E-octadecen-9-ynoic acid

> <FORMULA>
C18H30O3

> <MASS>
294.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Ximenynolic acid; 11-Octadecen-9-ynoic acid, 8-hydroxy-, (E)-; Ximenynic acid, 8-hydroxy-

> <INCHI_KEY>
OTAWOAZBNLPFQR-BQYQJAHWSA-N

> <INCHI>
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h7-8,17,19H,2-6,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-7+

> <SMILES>
C(CCCCCCC(O)C#C/C=C/CCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193262

> <ABBREVIATION>
FA 18:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
22590937

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
50110

> <CITATION>
-

$$$$