LMPR0103320001
  LIPID_MAPS_STRUCTURE_DATABASE

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.0000    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    7.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7145    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8579    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7158    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  1  0  0  0
 11 12  2  0  0  0  0
  3 13  1  0  0  0  0
  5 14  1  1  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
> <LM_ID>
LMPR0103320001

> <COMMON_NAME>
Macrophyllic acid A

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H22O2

> <MASS>
234.16

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Rearranged eudesmane sesquiterpenoids [PR010332]

> <SYNONYMS>


> <INCHI_KEY>
CFUISBDJXHZKJK-OBLPCYNLSA-N

> <INCHI>
InChI=1S/C15H22O2/c1-11-4-3-8-15(2)9-7-12(10-13(11)15)5-6-14(16)17/h5-6,12H,3-4,7-10H2,1-2H3,(H,16,17)/b6-5+/t12-,15-/m1/s1

> <SMILES>
C1C[C@]2(C)CC[C@@H](/C=C/C(=O)O)CC2=C(C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196153

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15886996

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
41589

> <CITATION>
-

$$$$