LMPR0102070013
  LIPID_MAPS_STRUCTURE_DATABASE

 14 15  0  0  0  0  0  0  0  0999 V2000
    7.6057    8.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6014    7.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6519    8.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4801    9.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6435    7.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4635    7.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3422    8.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4843   10.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3339    7.5556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4551    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6014    9.5713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5931    6.5730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3309    6.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  5  7  1  0  0  0  0
  8 10  1  0  0  0  0
  1 12  1  1  0  0  0
  2 13  1  1  0  0  0
  5 14  1  1  0  0  0
M  END
> <LM_ID>
LMPR0102070013

> <COMMON_NAME>
Nepetalactone cis-trans-form

> <SYSTEMATIC_NAME>
4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one

> <FORMULA>
C10H14O2

> <MASS>
166.10

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207]

> <SYNONYMS>


> <INCHI_KEY>
ZDKZHVNKFOXMND-NBEYISGCSA-N

> <INCHI>
InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8+,9+/m0/s1

> <SMILES>
[C@@]12([H])C(C)=COC(=O)[C@]1([H])[C@@H](C)CC2

> <KEGG_ID>
C09791

> <HMDB_ID>
-

> <CHEBI_ID>
7518

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
161367

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$