LMFA07010446
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0     0  0            999 V2000
   12.2919    8.4577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2919    7.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1079    7.0041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1079    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4018    7.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5117    7.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6214    7.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7312    7.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8410    7.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9507    7.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  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
 10 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010446

> <COMMON_NAME>
SFE 1:0/8:0

> <SYSTEMATIC_NAME>
Methyl octanoate

> <FORMULA>
C9H18O2

> <MASS>
158.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(1:0/8:0)

> <INCHI_KEY>
JGHZJRVDZXSNKQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3

> <SMILES>
O=C(CCCCCCC)OC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031291

> <CHEBI_ID>
87432

> <ABBREVIATION>
SFE 9:0

> <CAYMAN_ID>
26717

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
8091

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
395552

> <CITATION>
11421461

$$$$