LMPR01030047
  LIPID_MAPS_STRUCTURE_DATABASE

 18 19  0     0  0            999 V2000
    6.0606    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    9.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888    7.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8054    6.6394    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  2  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
  4 18  1  1     0  0
M  END
> <LM_ID>
LMPR01030047

> <COMMON_NAME>
Macrophyllic acid B

> <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>
OKSWDWBXHMOVCG-ZBRHRRKMSA-N

> <INCHI>
InChI=1S/C15H22O3/c1-11-4-3-8-14(2)9-7-12(5-6-13(16)17)10-15(11,14)18/h5-6,12,18H,1,3-4,7-10H2,2H3,(H,16,17)/b6-5+/t12-,14-,15+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15886997

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
41589

> <CITATION>
-

$$$$