LMFA01050619
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0  0  0  0  0  0  0  0999 V2000
   -0.4311   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4311   -0.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    0.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2996   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1686   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9064   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7753    0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6443    0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5132    0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3821    0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2510    0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1200    0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9889    0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8578    0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7267    0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3821    1.7423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2510   -0.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  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  3  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
 11 17  1  6  0  0  0
 12 18  1  1  0  0  0
M  END
> <LM_ID>
LMFA01050619

> <COMMON_NAME>
Maoleiferacid A

> <SYSTEMATIC_NAME>
9R,10S-dihydroxy-tetradeca-7E-en-5-ynoic acid

> <FORMULA>
C14H22O4

> <MASS>
254.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GTWSABJOLRFVJQ-APIKWLIHSA-N

> <INCHI>
InChI=1S/C14H22O4/c1-2-3-9-12(15)13(16)10-7-5-4-6-8-11-14(17)18/h7,10,12-13,15-16H,2-3,6,8-9,11H2,1H3,(H,17,18)/b10-7+/t12-,13+/m0/s1

> <SMILES>
C(CCCC#C/C=C/[C@@H](O)[C@@H](O)CCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 14:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
397392

> <CITATION>
41871788

$$$$