LMPR0102010023
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.0000    7.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7558    6.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5116    7.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7558    7.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7558    5.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0115    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4686    5.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7558    8.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4369    9.0334    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
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <LM_ID>
LMPR0102010023

> <COMMON_NAME>
(E)-alpha-ocimene

> <SYSTEMATIC_NAME>
3,7-dimethyl-1,3E,7-octatriene

> <FORMULA>
C10H16

> <MASS>
136.13

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C10 isoprenoids (monoterpenes) [PR0102]

> <CLASS_LEVEL4>
Acyclic monoterpenoids [PR010201]

> <SYNONYMS>


> <INCHI_KEY>
XJPBRODHZKDRCB-CSKARUKUSA-N

> <INCHI>
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+

> <SMILES>
C(=C(/C=C)\C)\CCC(=C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5320249

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3702

> <CITATION>
12624761

$$$$