LMPR0103300001
  LIPID_MAPS_STRUCTURE_DATABASE

 17 19  0  0  0  0  0  0  0  0999 V2000
    5.0000    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    6.0725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4289    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    8.5475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6425    6.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1274    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6425    7.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8974    5.4454    0.0000 C   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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
  3 12  1  1  0  0  0
 10 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16  9  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103300001

> <COMMON_NAME>
Cacalol

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H16O2

> <MASS>
228.12

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Cacalol sesquiterpenoids [PR010330]

> <SYNONYMS>


> <INCHI_KEY>
FODSYHRFMKIVST-QMMMGPOBSA-N

> <INCHI>
InChI=1S/C15H16O2/c1-8-5-4-6-11-12(8)10(3)13-9(2)7-17-15(13)14(11)16/h4,6-8,16H,5H2,1-3H3/t8-/m0/s1

> <SMILES>
C1=CC2C(O)=C3OC=C(C)C3=C(C)C=2[C@@H](C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
137832

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14482757

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$