LMFA07040149
  LIPID_MAPS_STRUCTURE_DATABASE

 21 22  0     0  0            999 V2000
   -3.0726   -0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9514   -0.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8304   -0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7094   -0.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5883   -0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4673   -0.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9514    0.7553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5883   -1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3110   -0.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4981   -0.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8086   -1.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8133   -1.6020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2180   -2.4149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8339    0.2576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3316   -0.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8580    1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9413    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0247    0.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1081    0.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1914    0.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2747   -0.3247    0.0000 C   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
  2  7  1  6  0  0  0
  5  8  1  6  0  0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 11 13  2  0     0  0
  1  9  1  0     0  0
  1 12  1  6     0  0
  3 14  1  6     0  0
  4 14  1  6     0  0
  6 15  2  0     0  0
 17 16  3  0  0  0  0
 18 17  1  0  0  0  0
 19 18  3  0  0  0  0
 20 19  1  0  0  0  0
 21 20  3  0  0  0  0
 15 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA07040149

> <COMMON_NAME>
Collimonin B

> <SYSTEMATIC_NAME>
6S,7S-epoxy-5R,8R-dihydroxy-9E-hexadeca-11,13,15-triyn-4S-olide

> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WXWUUBHVPFQANA-BCEZORDNSA-N

> <INCHI>
InChI=1S/C16H14O5/c1-2-3-4-5-6-7-8-11(17)15-16(21-15)14(19)12-9-10-13(18)20-12/h1,7-8,11-12,14-17,19H,9-10H2/b8-7+/t11-,12+,14-,15+,16+/m1/s1

> <SMILES>
[C@@H]1(OC(=O)CC1)[C@@H](O)[C@@H]1O[C@H]1[C@H](O)/C=C/C#CC#CC#C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 16:9;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
139591151

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Epoxy fatty acids [FA0107]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
1005048

> <CITATION>
29792438

$$$$