LMPR0103450003
  LIPID_MAPS_STRUCTURE_DATABASE

 17 19  0  0  0  0  0  0  0  0999 V2000
    7.0819    7.0731    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0819    6.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7674    5.6497    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6221    5.8448    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0026    6.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6221    7.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7674    7.6199    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2480    7.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7325    6.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2480    5.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1030    5.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5722    8.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0384    6.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4616    6.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2066    7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    6.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5933    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  2  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  6  0  0  0
  1 13  1  1  0  0  0
  4 13  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  9 16  2  0  0  0  0
  3 17  1  6  0  0  0
M  END
> <LM_ID>
LMPR0103450003

> <COMMON_NAME>
Sugeonol

> <SYSTEMATIC_NAME>
8S-hydroxy-1,4R,9,9-tetramethyl-3,4,5,6,7,8-hexahydro-3a(R),7-methanoazulen-2-one

> <FORMULA>
C15H22O2

> <MASS>
234.16

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Patchoulane sesquiterpenoids [PR010345]

> <SYNONYMS>


> <INCHI_KEY>
BOBZQUWDNGGBHD-OMCHNSJMSA-N

> <INCHI>
InChI=1S/C15H22O2/c1-8-5-6-10-13(17)12-9(2)11(16)7-15(8,12)14(10,3)4/h8,10,13,17H,5-7H2,1-4H3/t8-,10-,13+,15+/m1/s1

> <SMILES>
[C@]123C(C)(C)[C@H](CC[C@H]1C)[C@H](O)C2=C(C)C(=O)C3

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12443126

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
512623

> <CITATION>
-

$$$$