LMPR0103200001
  LIPID_MAPS_STRUCTURE_DATABASE

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.1930    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3364    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    6.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0509    7.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3364    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654    7.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    5.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3364    8.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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  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
  6 11  1  0  0  0  0
  8 12  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  6  0  0  0
 12 16  1  0  0  0  0
  3 17  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 10 20  2  0  0  0  0
M  END
> <LM_ID>
LMPR0103200001

> <COMMON_NAME>
Emmotin A

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H22O4

> <MASS>
278.15

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Emmotin sesquiterpenoids [PR010320]

> <SYNONYMS>


> <INCHI_KEY>
GRTATZFIZSZURL-GXTWGEPZSA-N

> <INCHI>
InChI=1S/C16H22O4/c1-9-5-6-10(8-20-4)13-11(9)7-12(16(2,3)19)14(17)15(13)18/h5-6,12,14,17,19H,7-8H2,1-4H3/t12-,14+/m0/s1

> <SMILES>
C1=C(COC)C2C(=O)[C@H](O)[C@@H](C(O)(C)C)CC=2C(C)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166674

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608142

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
597260

> <CITATION>
-

$$$$