LMFA07010525
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0     0  0            999 V2000
   13.1611    8.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1611    7.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9747    7.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9747    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2737    7.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3861    7.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4986    7.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6109    7.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7234    7.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8358    7.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9483    7.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9863    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  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010525

> <COMMON_NAME>
SFE 1:0/9:1(6E)

> <SYSTEMATIC_NAME>
Methyl 6E-nonenoate

> <FORMULA>
C10H18O2

> <MASS>
170.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(1:0/9:1(6E))

> <INCHI_KEY>
IAXJWKAHMIYBRY-SNAWJCMRSA-N

> <INCHI>
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h4-5H,3,6-9H2,1-2H3/b5-4+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180240

> <ABBREVIATION>
SFE 10:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5366843

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7213

> <CITATION>
4733106

$$$$