LMFA06000019
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    5.0000    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    5.2476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA06000019

> <COMMON_NAME>
2-heptenal

> <SYSTEMATIC_NAME>
2-heptenal

> <FORMULA>
C7H12O

> <MASS>
112.09

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty aldehydes [FA06]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NDFKTBCGKNOHPJ-AATRIKPKSA-N

> <INCHI>
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+

> <SMILES>
CCCC/C=C/C([H])=O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033827

> <CHEBI_ID>
143912

> <ABBREVIATION>
FAL 7:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283316

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$