LMFA01030440
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0     0  0            999 V2000
   12.1738    7.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0370    7.2579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1738    8.5547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042    7.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3016    7.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4333    7.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5651    7.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6967    7.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8285    7.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9603    7.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8285    6.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7115    6.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  2  0     0  0
  6  5  1  0     0  0
  7  6  1  0     0  0
  8  7  1  0     0  0
  9  8  2  0     0  0
 10  9  1  0     0  0
  9 11  1  0     0  0
  5 12  1  0     0  0
M  END
> <LM_ID>
LMFA01030440

> <COMMON_NAME>
Nerolic acid

> <SYSTEMATIC_NAME>
3,7-dimethyl-2Z,6-octadienoic acid

> <FORMULA>
C10H16O2

> <MASS>
168.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZHYZQXUYZJNEHD-CLFYSBASSA-N

> <INCHI>
InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195801

> <ABBREVIATION>
FA 10:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312583

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7460

> <CITATION>
-

$$$$