LMFA07010918
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0            999 V2000
    2.8580    0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443    0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4293    0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156    0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156   -0.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006    0.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7129    0.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4279    0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430    0.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580    0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430   -0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  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
 10 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010918

> <COMMON_NAME>
Isopentyl 3-methyl-2-butenoate

> <SYSTEMATIC_NAME>
3-methylbutyl 3-methylbut-2-enoate

> <FORMULA>
C10H18O2

> <MASS>
170.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DBGLRAHCYJTYEH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h7-8H,5-6H2,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0040530

> <CHEBI_ID>
180210

> <ABBREVIATION>
WE 10:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
92570

> <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>
-

> <CITATION>
-

$$$$