LMFA07010663
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0     0  0            999 V2000
    9.5287    9.5074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5287    8.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3233    8.0916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6618    8.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7948    8.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9277    8.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6618    7.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2557    8.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3276    8.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3275    9.6773    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 10  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  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
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010663

> <COMMON_NAME>
Isopropyl 2-methyl-2E-pentenoate

> <SYSTEMATIC_NAME>
Isopropyl 2-methyl-2E-pentenoate

> <FORMULA>
C9H16O2

> <MASS>
156.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(2:0(1Me)/5:1(2E)(2Me)); trun-call-1

> <INCHI_KEY>
ZYNFJRNPUDOPDR-SOFGYWHQSA-N

> <INCHI>
InChI=1S/C9H16O2/c1-5-6-8(4)9(10)11-7(2)3/h6-7H,5H2,1-4H3/b8-6+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195748

> <ABBREVIATION>
SFE 9:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15071057

> <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>
101470

> <CITATION>
24258923

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