LMFA03010222
  LIPID_MAPS_STRUCTURE_DATABASE

 36 36  0     0  0            999 V2000
    9.1789    9.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1789   10.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1876   10.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5752    9.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1876    8.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0220   10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246   10.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0220    8.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    9.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8271    8.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7296    9.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6321    8.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5347    9.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4372    8.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3397    9.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8657   11.5924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8271    7.5822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667   10.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8692   10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7717   10.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6743   10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5768   10.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4793   10.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5768    9.5370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8657    7.9238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9632    7.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9632    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5347    9.9531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6856    9.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0343    9.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6856    9.0574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3818   10.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6932    7.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6932    6.0822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5592    7.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
  2  6  1  6     0  0
  6  7  1  0     0  0
  1  8  1  1     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
  3 16  1  6     0  0
 10 17  1  6     0  0
  7 18  2  0     0  0
 19 18  1  0     0  0
 20 19  1  0     0  0
 21 20  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 22 24  2  0     0  0
  5 25  1  6     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 26 28  2  0     0  0
 13 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 30 32  2  0     0  0
 23 33  1  0     0  0
 17 34  1  0     0  0
 34 35  2  0     0  0
 34 36  1  0     0  0
M  END
> <LM_ID>
LMFA03010222

> <COMMON_NAME>
Sarcoehrendin A

> <SYSTEMATIC_NAME>
methyl 9S,hydroxy-11R,15S,18-triacetoxy-5Z,13E-prostadienoate

> <FORMULA>
C27H42O9

> <MASS>
510.28

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IRWUSEQYOHQTHP-KHBMTRKYSA-N

> <INCHI>
InChI=1S/C27H42O9/c1-6-21(34-18(2)28)13-14-22(35-19(3)29)15-16-24-23(25(31)17-26(24)36-20(4)30)11-9-7-8-10-12-27(32)33-5/h7,9,15-16,21-26,31H,6,8,10-14,17H2,1-5H3/b9-7-,16-15+/t21?,22-,23+,24+,25-,26+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 27:6;O7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
118713841

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
358800

> <CITATION>
25075977

$$$$