LMFA01050371
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0  0  0  0  0999 V2000
    5.7145    5.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0000    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2867    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5722    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1434    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012    5.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2867    7.0626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    7.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  0  0  0  0
  2  1  1  0  0  0  0
  9  3  2  0  0  0  0
  8  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
 10  5  1  0  0  0  0
  6  5  1  0  0  0  0
  1  7  1  0  0  0  0
  7  6  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA01050371

> <COMMON_NAME>
6-hydroxy-3-isopropenylheptanoic acid

> <SYSTEMATIC_NAME>
6-hydroxy-3-(prop-1-en-2-yl)heptanoic acid

> <FORMULA>
C10H18O3

> <MASS>
186.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6-hydroxy-3-(1-methylethenyl)heptanoic acid

> <INCHI_KEY>
NQYDFAGFKCSWGI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H18O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)

> <SMILES>
C(CCC(C(C)=C)CC(O)=O)(C)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
50452

> <ABBREVIATION>
FA 10:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
4488499

> <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>
-

> <CITATION>
-

$$$$