LMFA07010574
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0  0  0  0  0  0  0  0999 V2000
    7.1401    7.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1401    6.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7941    6.4243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7941    5.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4268    6.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7134    6.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0808    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3674    5.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6540    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3674    6.2578    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
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010574

> <COMMON_NAME>
3-Methylbutyl butyrate

> <SYSTEMATIC_NAME>
3-Methylbutyl butyrate

> <FORMULA>
C9H18O2

> <MASS>
158.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(4:0(3Me)/4:0)

> <INCHI_KEY>
PQLMXFQTAMDXIZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3

> <SMILES>
O=C(CCC)OCCC(C)C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0040221

> <CHEBI_ID>
87422

> <ABBREVIATION>
SFE 9:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
7795

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
80338

> <CITATION>
16555133

$$$$