LMPR0103410002
  LIPID_MAPS_STRUCTURE_DATABASE

 14 15  0  0  0  0  0  0  0  0999 V2000
    6.3354    6.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    7.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1168    6.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6780    5.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375    7.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5006    7.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8155    6.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6987    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3198    7.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600    8.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9015    7.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5142    6.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2405    6.4490    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  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
  5  8  2  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <LM_ID>
LMPR0103410002

> <COMMON_NAME>
Chamazulene

> <SYSTEMATIC_NAME>


> <FORMULA>
C14H16

> <MASS>
184.13

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Guaiane sesquiterpenoids [PR010341]

> <SYNONYMS>


> <INCHI_KEY>
GXGJIOMUZAGVEH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3

> <SMILES>
C12=C(C)C=CC1=C(C)C=CC(CC)=C2

> <KEGG_ID>
C09633

> <HMDB_ID>
HMDB0036470

> <CHEBI_ID>
3573

> <ABBREVIATION>
-

> <CAYMAN_ID>
36072

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10719

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
98504

> <CITATION>
7997466

$$$$