LMFA07020002
  LIPID_MAPS_STRUCTURE_DATABASE

 43 42  0     0  0            999 V2000
   14.0039    9.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8799    8.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0039   10.4114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1218    8.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2390    8.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3564    9.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4737    8.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5909    9.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7084    8.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8258    9.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9430    8.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    9.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9430    7.8831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7394    9.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5786    8.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6196    8.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    7.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    6.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4552    7.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3378    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2205    7.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1031    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9859    7.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8684    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7512    7.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6340    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5164    7.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3991    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2819    7.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0472    7.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9299    7.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8124    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6952    7.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5778    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4606    7.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3432    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2257    7.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1646    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4551    9.3249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.2602    9.7065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0015   10.0497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8087    8.5002    0.0000 O   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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  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 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  6  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 17 13  1  0  0  0  0
 30 39  1  0  0  0  0
 39 31  1  0  0  0  0
 15 40  1  0     0  0
 40 41  2  0     0  0
 40 42  1  0     0  0
 40 43  2  0     0  0
M  END
> <LM_ID>
LMFA07020002

> <COMMON_NAME>
2-(9R-(15Z-docosenoyloxy)-3-methyl-2Z-decenoyloxy)-ethanesulfonic acid

> <SYSTEMATIC_NAME>
2-(9R-(15Z-docosenoyloxy)-3-methyl-2Z-decenoyloxy)-ethanesulfonic acid

> <FORMULA>
C35H64O7S

> <MASS>
628.44

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax diesters [FA0702]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UVAQPIXHYOHSAY-XOTFYESOSA-N

> <INCHI>
InChI=1S/C35H64O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-34(36)42-33(3)27-24-22-23-26-32(2)31-35(37)41-29-30-43(38,39)40/h9-10,31,33H,4-8,11-30H2,1-3H3,(H,38,39,40)/b10-9-,32-31-/t33-/m1/s1

> <SMILES>
C(/C=C(/C)\CCCCC[C@H](OC(CCCCCCCCCCCCC/C=C\CCCCCC)=O)C)(=O)OCCS(=O)(O)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186390

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10261023

> <LIPIDBANK_ID>
-

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

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

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$