LMFA07010896
  LIPID_MAPS_STRUCTURE_DATABASE

 17 16  0  0  0  0            999 V2000
   -2.5003    2.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5003    1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2152    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3569    2.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3569    1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3581    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7853    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7853   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5003   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5003   -2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152   -2.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7853   -2.4748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  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
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
> <LM_ID>
LMFA07010896

> <COMMON_NAME>
Geranyl acetoacetate

> <SYSTEMATIC_NAME>
(2Z)-3,7-dimethylocta-2,6-dien-1-yl 3-oxobutanoate

> <FORMULA>
C14H22O3

> <MASS>
238.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RYILZWKGLGVPOC-WQLSENKSSA-N

> <INCHI>
InChI=1S/C14H22O3/c1-11(2)6-5-7-12(3)8-9-17-14(16)10-13(4)15/h6,8H,5,7,9-10H2,1-4H3/b12-8-

> <SMILES>
C/C(=C\CC/C(=C\COC(=O)CC(=O)C)/C)/C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038256

> <CHEBI_ID>
177688

> <ABBREVIATION>
SFE 14:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
54611954

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Oxo fatty acids [FA0106]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$