LMFA01060179
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0  0  0  0  0999 V2000
    8.5724    5.8250    0.0000 C   0  0  0  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
    5.0000    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    7.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5724    7.4750    0.0000 C   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
    5.7145    5.8250    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
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  8  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
 12  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8 10  1  1  0  0  0
 10  9  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
> <LM_ID>
LMFA01060179

> <COMMON_NAME>
(3R)-3-isopropenyl-6-oxoheptanoic acid

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

> <FORMULA>
C10H16O3

> <MASS>
184.11

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(3R)-4-methyl-3-(3-oxobutyl)pent-4-enoic acid

> <INCHI_KEY>
NJOIWWRMLFSDTM-SECBINFHSA-N

> <INCHI>
InChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13)/t9-/m1/s1

> <SMILES>
C([C@H](C(=C)C)CCC(=O)C)C(O)=O

> <KEGG_ID>
C11405

> <HMDB_ID>
-

> <CHEBI_ID>
37287

> <ABBREVIATION>
FA 10:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
443189

> <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>
-

$$$$