LMFA07040142
  LIPID_MAPS_STRUCTURE_DATABASE

 14 14  0     0  0            999 V2000
    5.3500   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160   -3.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4840   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4840   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0821   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9481   -3.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9481   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0821   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -2.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -6.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8141   -5.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  2  0     0  0
  1 11  2  0     0  0
  4 12  1  1     0  0
  9 13  1  6     0  0
  7 14  1  6     0  0
M  END
> <LM_ID>
LMFA07040142

> <COMMON_NAME>
Modiolide A

> <SYSTEMATIC_NAME>
4R,7S,dihydroxy-2Z,5E-decadien-9R-olide

> <FORMULA>
C10H14O4

> <MASS>
198.09

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MKPZLFSGCUYQEY-JKPBTABPSA-N

> <INCHI>
InChI=1S/C10H14O4/c1-7-6-9(12)3-2-8(11)4-5-10(13)14-7/h2-5,7-9,11-12H,6H2,1H3/b3-2+,5-4-/t7-,8-,9-/m1/s1

> <SMILES>
C1(=O)C=C[C@H](O)C=C[C@@H](O)C[C@@H](C)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
190592

> <ABBREVIATION>
FA 10:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
643697

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
214656

> <CITATION>
12662103

$$$$