LMPR0102110002
  LIPID_MAPS_STRUCTURE_DATABASE

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.1733    9.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1733    8.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9551    7.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9300    8.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3639    8.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9300    9.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9551   10.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5534    7.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5423    7.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1881    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.0726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5535   10.6570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  2  0  0  0  0
  6 12  1  0  0  0  0
M  END
> <LM_ID>
LMPR0102110002

> <COMMON_NAME>
Hinokitiol

> <SYSTEMATIC_NAME>
2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one

> <FORMULA>
C10H12O2

> <MASS>
164.08

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Cycloheptane monoterpenoids [PR010211]

> <SYNONYMS>
beta-Thujaplicin; 4-Isopropyltropolone

> <INCHI_KEY>
FUWUEFKEXZQKKA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)

> <SMILES>
C1C(=O)C(O)=CC(C(C)C)=CC=1

> <KEGG_ID>
C09904

> <HMDB_ID>
-

> <CHEBI_ID>
10447

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3611

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3316

> <CITATION>
18118412

$$$$