Marvin  06210614292D          

 24 24  0  0  1  0            999 V2000
    1.3300   -1.5124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3266   -2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5413   -1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0433   -1.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5515   -2.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0433   -2.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0578   -1.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2841   -0.4768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7567   -1.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7567   -2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4734   -1.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4734   -2.7504    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1832   -1.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1866   -2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4734   -3.5768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8999   -1.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8999   -2.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6166   -1.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6166   -2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3300   -1.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3300   -2.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0432   -1.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -0.2763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0467   -2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  6  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
> <ID>
CHEBI:15546

> <NAME>
prostaglandin C1

> <STAR>
3

> <SECONDARY_ID>
CHEBI:144; CHEBI:10822; CHEBI:26318

> <SYNONYM>
Prostaglandin C1; PGC1; (13E)-(15S)-15-Hydroxy-9-oxoprosta-11,13-dienoate

> <IUPAC_NAME>
(13E,15S)-15-hydroxy-9-oxoprosta-11,13-dienoic acid

> <FORMULA>
C20H32O4

> <MASS>
336.46568

> <MONOISOTOPIC_MASS>
336.23006

> <CHARGE>
0

> <SMILES>
CCCCC[C@H](O)\C=C\C1=CCC(=O)[C@@H]1CCCCCCC(O)=O

> <INCHI>
InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-14,17-18,21H,2-11,15H2,1H3,(H,23,24)/b14-12+/t17-,18+/m0/s1

> <INCHIKEY>
PUIBPGHAXSCVRF-QHFGJBOXSA-N

> <CAS_REGISTRY_NUMBER>
35687-86-6

> <KEGG_COMPOUND_ACCESSION>
C04686

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA03010160

$$$$