LMFA01030008
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    5.7144    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  5  7  2  0  0  0  0
  1  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030008

> <COMMON_NAME>
Isohydrosorbic acid

> <SYSTEMATIC_NAME>
2E-hexenoic acid

> <FORMULA>
C6H10O2

> <MASS>
114.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
beta-propyl acrylic acid; C6:1n-4

> <INCHI_KEY>
NIONDZDPPYHYKY-SNAWJCMRSA-N

> <INCHI>
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+

> <SMILES>
C(C)C/C=C/C(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0010719

> <CHEBI_ID>
87721

> <ABBREVIATION>
FA 6:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282707

> <LIPIDBANK_ID>
DFA0047

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$