LMPR01030049
  LIPID_MAPS_STRUCTURE_DATABASE

 18 20  0     0  0            999 V2000
    6.0858    8.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0858    7.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9554    7.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250    7.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250    8.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9554    9.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6946    7.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5643    7.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5643    8.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6946    9.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4339    7.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3035    7.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9554    6.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250    9.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1731    7.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0427    7.5921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1731    6.0858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8379    6.6670    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  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  1  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
  4 18  1  6     0  0
  3 18  1  6     0  0
M  END
> <LM_ID>
LMPR01030049

> <COMMON_NAME>
Macrophyllic acid E

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H22O3

> <MASS>
250.16

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CZFYTAOSDOKUHD-NKLRYFMSSA-N

> <INCHI>
InChI=1S/C15H22O3/c1-13-7-3-8-14(2)15(13,18-14)10-11(6-9-13)4-5-12(16)17/h4-5,11H,3,6-10H2,1-2H3,(H,16,17)/b5-4+/t11-,13-,14-,15+/m1/s1

> <SMILES>
C1C[C@]2(C)CC[C@@H](/C=C/C(=O)O)C[C@@]32O[C@]3(C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15887000

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
41589

> <CITATION>
-

$$$$