LMFA06000127
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0     0  0            999 V2000
   11.7156    7.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6507    7.1294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7156    8.5344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7734    7.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8308    7.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8882    7.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9456    7.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0031    7.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7734    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0031    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA06000127

> <COMMON_NAME>
2,6-Dimethyl-5-heptenal

> <SYSTEMATIC_NAME>
2,6-Dimethyl-5-heptenal

> <FORMULA>
C9H16O

> <MASS>
140.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty aldehydes [FA06]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>
Melonal; Bergamal

> <INCHI_KEY>
YGFGZTXGYTUXBA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031834

> <CHEBI_ID>
-

> <ABBREVIATION>
FAL 9:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
61016

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
94328

> <CITATION>
37003052

$$$$