LMPR0103410006
  LIPID_MAPS_STRUCTURE_DATABASE

 15 16  0     0  0            999 V2000
    9.3561    9.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6484    9.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3812    7.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7900    8.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3561    7.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9796    6.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3812    9.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6484    7.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5994    9.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5994    8.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1587   10.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9685    7.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6143    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3393    6.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10  8  2  0  0  0  0
  8  1  1  0  0  0  0
  1  5  2  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 11  9  2  0  0  0  0
  9  3  1  0  0  0  0
  2  3  2  0  0  0  0
 11  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  2  0  0  0  0
  6  7  1  0  0  0  0
  8 12  1  0  0  0  0
  7 14  1  0  0  0  0
  7 13  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103410006

> <COMMON_NAME>
guaiazulene

> <SYSTEMATIC_NAME>
1,4-dimethyl-7-(propan-2-yl)azulene

> <FORMULA>
C15H18

> <MASS>
198.14

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Guaiane sesquiterpenoids [PR010341]

> <SYNONYMS>
1,4-Dimethyl-7-isopropylazulene; 1,4-dimethyl-7-(1-methylethyl)azulene; 3,8-dimethyl-5-(2-propyl)azulene; 7-isopropyl-1,4-dimethylazulene; Guaiazulene

> <KEGG_ID>
C09675

> <HMDB_ID>
HMDB0036648

> <YMDB_ID>
-

> <CHEBI_ID>
5550

> <CAYMAN_ID>
31506

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3515

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPR0103410006

$$$$