Marvin  06230618072D          

 25 25  0  0  0  0            999 V2000
   -6.3858    0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9009    1.3670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1144    2.1639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9009    0.0321    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1144   -0.7648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1163    1.1120    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4018    1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6873    1.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8623    1.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1479    1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4334    1.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7189    1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0045    0.3495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0045    1.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100    1.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1163    0.2871    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4018   -0.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6873    0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2584    0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5439   -0.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8295    0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1150   -0.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5995    0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9729   -0.1254    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9729   -0.9504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  6  1  0  0  0  0
  1  4  1  0  0  0  0
  4 16  1  0  0  0  0
 16  6  1  0  0  0  0
  2  3  1  6  0  0  0
  4  5  1  1  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  2  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
 12 14  1  0  0  0  0
 14 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  2  0  0  0  0
 18 24  1  0  0  0  0
 24 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
 24 25  1  6  0  0  0
M  END
> <ID>
CHEBI:27595

> <NAME>
11-epi-prostaglandin F2alpha

> <DEFINITION>
The prostaglandin F that is the 11-epimer of prostaglandin F2α.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:730; CHEBI:19125

> <SYNONYM>
11beta-prostaglandin F2alpha; 11beta-PGF2alpha; 11-epi-Prostaglandin F2alpha; 11-epi-Prostaglandin F2a; 11-epi-PGF2alpha; 11-epi-PGF2a

> <IUPAC_NAME>
(5Z,13E,15S)-9alpha,11beta,15-trihydroxyprosta-5,13-dien-1-oic acid

> <FORMULA>
C20H34O5

> <MASS>
354.48096

> <MONOISOTOPIC_MASS>
354.24062

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19-/m0/s1

> <INCHIKEY>
PXGPLTODNUVGFL-ZWAKLXPCSA-N

> <KEGG_COMPOUND_ACCESSION>
C05959

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA03010036

$$$$