LMFA07010592
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0     0  0            999 V2000
    9.6268    9.2819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6268    8.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4274    7.8557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4274    6.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7535    8.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8802    8.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0067    8.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8802    9.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5541    6.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6808    6.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8073    6.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9340    6.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.6510    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
  6  8  1  0  0  0  0
  4  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
 12 13  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010592

> <COMMON_NAME>
WE 6:1(3Z)/4:0(3Me)

> <SYSTEMATIC_NAME>
(Z)-3-Hexenyl 3-methylbutanoate

> <FORMULA>
C11H20O2

> <MASS>
184.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(6:1(3Z)/4:0(3Me))

> <INCHI_KEY>
AIQLNKITFBJPFO-WAYWQWQTSA-N

> <INCHI>
InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038278

> <CHEBI_ID>
172060

> <ABBREVIATION>
WE 11:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5367681

> <LIPIDBANK_ID>
-

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

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

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

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
178616

> <CITATION>
24242803

$$$$