LMFA03120054
  LIPID_MAPS_STRUCTURE_DATABASE

 26 27  0  0  0  0  0  0  0  0999 V2000
   15.6473    7.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3857    7.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6473    8.6006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9035    7.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1594    7.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4151    7.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6709    7.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9268    7.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1826    7.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4385    7.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6944    7.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9502    7.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2059    7.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4618    7.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7663    7.2468    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9495    7.5101    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4415    6.8204    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9495    6.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7663    6.3941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4618    5.8929    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2059    6.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9502    5.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.5816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8476    5.3404    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3287    6.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9215    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 14  1  1  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  6  0  0  0
 20 24  1  6  0  0  0
 19 25  1  1  0  0  0
 20 26  1  1  0  0  0
 17 23  1  6  0  0  0
M  END
> <LM_ID>
LMFA03120054

> <COMMON_NAME>
Egregiachloride C

> <SYSTEMATIC_NAME>
14R,15S-epoxy,18S-chloro-5Z,8Z,11Z-prostatrienoic acid cyclo-[13S,17R]

> <FORMULA>
C20H29ClO3

> <MASS>
352.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Clavulones [FA0312]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZPCHFWGBCMRNFG-LUZGOERCSA-N

> <INCHI>
InChI=1S/C20H29ClO3/c1-2-17(21)16-14-18-20(24-18)15(16)12-10-8-6-4-3-5-7-9-11-13-19(22)23/h4-7,10,12,15-18,20H,2-3,8-9,11,13-14H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-/t15-,16+,17-,18-,20+/m0/s1

> <SMILES>
C(CCC/C=C\C/C=C\C/C=C\[C@@H]1[C@H]2O[C@H]2C[C@@]1([H])[C@@]([H])(Cl)CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187008

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935885

> <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]; Halogenated fatty acids [FA0109]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
105409

> <CITATION>
11958814

$$$$