LMFA07010194
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0     0  0            999 V2000
   13.5327    7.1233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6051    7.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3822    7.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2269    7.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3822    8.4410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6704    7.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7355    7.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8005    7.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8656    7.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9305    7.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9956    7.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8914    6.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9956    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010194

> <COMMON_NAME>
Neryl acetate

> <SYSTEMATIC_NAME>
3,7-Dimethyl-2Z,6-octadienyl acetate

> <FORMULA>
C12H20O2

> <MASS>
196.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HIGQPQRQIQDZMP-FLIBITNWSA-N

> <INCHI>
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0035157

> <CHEBI_ID>
141210

> <ABBREVIATION>
SFE 12:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
1549025

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Prenol Lipids [PR]

> <ALT_MAIN_CLASSES>
Isoprenoids [PR01]

> <ALT_SUB_CLASSES>
C10 isoprenoids (monoterpenes) [PR0102]

> <ALT_CLASS_LEVEL4S>
Acyclic monoterpenoids [PR010201]

> <TAXONOMY>
710039

> <CITATION>
-

$$$$