LMFA07040018
  LIPID_MAPS_STRUCTURE_DATABASE

 11 12  0     0  0            999 V2000
    9.5508    7.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6988    8.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4304    8.0121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5233    6.5366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8195    7.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7919    6.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9124    6.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881    7.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9676    8.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6438    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  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
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  2  5  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA07040018

> <COMMON_NAME>
(2-Hydroxymethyl-cyclohexyl)-acetic acid lactone

> <SYSTEMATIC_NAME>
Octahydrobenzopyran-3-one

> <FORMULA>
C9H14O2

> <MASS>
154.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
CIC-4

> <INCHI_KEY>
AYMWCZFEDLLHMI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H14O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h7-8H,1-6H2

> <SMILES>
C1(OCC2CCCCC2C1)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180441

> <ABBREVIATION>
FA 9:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
98453

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
8158621

$$$$