LMPR0103330003
  LIPID_MAPS_STRUCTURE_DATABASE

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.1360    6.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1393    7.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8502    6.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4320    6.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8570    7.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4320    7.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5679    6.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8468    5.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7143    6.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5713    7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8605    8.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7143    7.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1291    5.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5610    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1291    5.8379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1325    8.3102    0.0000 H   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
  3  8  1  1  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
  1 16  1  1  0  0  0
  2 17  1  6  0  0  0
M  END
> <LM_ID>
LMPR0103330003

> <COMMON_NAME>
beta-Cadinene

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H24

> <MASS>
204.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C15 isoprenoids (sesquiterpenes) [PR0103]

> <CLASS_LEVEL4>
Cadinane sesquiterpenoids [PR010333]

> <SYNONYMS>


> <INCHI_KEY>
USDOQCCMRDNVAH-KKUMJFAQSA-N

> <INCHI>
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1

> <SMILES>
[C@@]12([H])CC(=CC[C@@]1([H])C(C)=CC[C@H]2C(C)C)C

> <KEGG_ID>
C09625

> <HMDB_ID>
-

> <CHEBI_ID>
27723

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10657

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$