LMPR0103700010
  LIPID_MAPS_STRUCTURE_DATABASE

 18 20  0     0  0            999 V2000
    8.8879    7.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8879    8.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7218    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5556    7.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5556    8.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7218    8.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9721    8.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4062    7.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9721    7.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8879    6.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5556    6.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6745    6.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8879    9.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0371    9.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4858    8.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7218    9.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3436    5.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  1 10  1  0  0  0  0
  4 11  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  1  0  0  0
  2 13  1  1  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  2  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0     0  0
M  END
> <LM_ID>
LMPR0103700010

> <COMMON_NAME>
Zizanoic acid

> <SYSTEMATIC_NAME>
(+)-6(13)-zizene-12-oic acid

> <FORMULA>
C15H22O2

> <MASS>
234.16

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Zizaane and prezizaane sesquiterpenoids [PR010370]

> <SYNONYMS>


> <INCHI_KEY>
IJGMVUXEZUEDJR-NOFREYILSA-N

> <INCHI>
InChI=1S/C15H22O2/c1-9-11-4-5-12(13(16)17)15(11)7-6-10(8-15)14(9,2)3/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10?,11-,12-,15-/m1/s1

> <SMILES>
[C@]123CC[C@H](C(C)(C)C(=C)[C@@]1([H])CC[C@@H]2C(=O)O)C3

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
98117949

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
167337

> <CITATION>
-

$$$$