LMFA01010017
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0  0  0  0  0  0  0  0999 V2000
   12.1225    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8546    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9885    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7206    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5867    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4528    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3188    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1849    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0509    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9170    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7830    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9170    7.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2564    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3905    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6585    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  2  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
> <LM_ID>
LMFA01010017

> <COMMON_NAME>
Margaric acid

> <SYSTEMATIC_NAME>
heptadecanoic acid

> <FORMULA>
C17H34O2

> <MASS>
270.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Straight chain fatty acids [FA0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Heptadecylic acid; C17:0; Daturic acid; Daturinic acid; Margarinic acid

> <INCHI_KEY>
KEMQGTRYUADPNZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)

> <SMILES>
C(CCCCCCC)CCCCCCCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0002259

> <CHEBI_ID>
32365

> <ABBREVIATION>
FA 17:0

> <CAYMAN_ID>
19722

> <SWISSLIPIDS_ID>
SLM:000001095

> <PUBCHEM_COMPOUND_ID>
10465

> <LIPIDBANK_ID>
DFA0017

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606; 7874; 9940

> <CITATION>
20671299; 13269382; 13403863

$$$$