
 11,9-epoxymethano PGH2

 56 57  0  0  0  0  0  0  0  0999 V2000
    7.2062   -2.5824    5.4452 C   0  0  0  0  0
    7.8994   -1.6613    4.4544 C   0  0  0  0  0
    6.8964   -0.7662    3.7277 C   0  0  0  0  0
    7.5923    0.1250    2.6970 C   0  0  0  0  0
    6.5794    0.9916    1.9453 C   0  0  0  0  0
    7.2037    1.8941    0.8706 C   0  0  0  0  0
    7.9050    1.1101   -0.2073 C   0  0  0  0  0
    7.4426    0.8181   -1.4344 C   0  0  0  0  0
    8.1482    0.0065   -2.4940 C   0  0  0  0  0
    9.5824   -0.5230   -2.2406 C   0  0  0  0  0
    9.7446   -1.5228   -3.3773 C   0  0  0  0  0
    8.5523   -2.3456   -2.9099 C   0  0  0  0  0
    7.3926   -1.3131   -2.8489 C   0  0  0  0  0
    6.5427   -1.1367   -4.0867 C   0  0  0  0  0
    6.7391   -1.6744   -5.3007 C   0  0  0  0  0
    5.8247   -1.4217   -6.4663 C   0  0  0  0  0
    6.4586   -0.4468   -7.4568 C   0  0  0  0  0
    5.5208   -0.1544   -8.6205 C   0  0  0  0  0
    6.1293    0.8661   -9.5369 C   0  0  0  0  0
    6.0187    2.0763   -9.4437 O   0  0  0  0  0
    6.8868    0.3134  -10.5022 O   0  0  0  0  0
    8.9947   -2.6144   -1.4717 C   0  0  0  0  0
    9.5998   -1.3693   -1.0646 O   0  0  0  0  0
    6.1768    2.7064    0.3064 O   0  0  0  0  0
    7.9417   -3.2104    5.9574 H   0  0  0  0  0
    6.4944   -3.2403    4.9361 H   0  0  0  0  0
    6.6627   -2.0078    6.2018 H   0  0  0  0  0
    8.4526   -2.2683    3.7282 H   0  0  0  0  0
    8.6322   -1.0433    4.9861 H   0  0  0  0  0
    6.3621   -0.1429    4.4548 H   0  0  0  0  0
    6.1475   -1.3903    3.2245 H   0  0  0  0  0
    8.1410   -0.5125    1.9946 H   0  0  0  0  0
    8.3270    0.7678    3.1963 H   0  0  0  0  0
    6.0339    1.6221    2.6598 H   0  0  0  0  0
    5.8165    0.3495    1.4840 H   0  0  0  0  0
    7.9257    2.5777    1.3309 H   0  0  0  0  0
    8.8870    0.7429    0.0860 H   0  0  0  0  0
    6.4661    1.1927   -1.7339 H   0  0  0  0  0
    8.2005    0.6544   -3.3821 H   0  0  0  0  0
   10.3492    0.2526   -2.1789 H   0  0  0  0  0
    9.6316   -1.0849   -4.3731 H   0  0  0  0  0
   10.6838   -2.0835   -3.3212 H   0  0  0  0  0
    8.3358   -3.2571   -3.4698 H   0  0  0  0  0
    6.7018   -1.6035   -2.0450 H   0  0  0  0  0
    5.6786   -0.4865   -3.9448 H   0  0  0  0  0
    7.5917   -2.3198   -5.4949 H   0  0  0  0  0
    4.8617   -1.0261   -6.1204 H   0  0  0  0  0
    5.6114   -2.3778   -6.9591 H   0  0  0  0  0
    7.4037   -0.8563   -7.8363 H   0  0  0  0  0
    6.7120    0.4918   -6.9462 H   0  0  0  0  0
    4.5617    0.2415   -8.2671 H   0  0  0  0  0
    5.2943   -1.0635   -9.1892 H   0  0  0  0  0
    7.2333    1.0829  -11.0011 H   0  0  0  0  0
    9.7580   -3.3975   -1.4153 H   0  0  0  0  0
    8.1747   -2.8648   -0.7923 H   0  0  0  0  0
    5.4556    2.1129    0.0417 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6 24  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
 10 23  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 12 22  1  0  0  0
 12 43  1  0  0  0
 13 14  1  0  0  0
 13 44  1  0  0  0
 14 15  2  0  0  0
 14 45  1  0  0  0
 15 16  1  0  0  0
 15 46  1  0  0  0
 16 17  1  0  0  0
 16 47  1  0  0  0
 16 48  1  0  0  0
 17 18  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
 18 19  1  0  0  0
 18 51  1  0  0  0
 18 52  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 53  1  0  0  0
 22 23  1  0  0  0
 22 54  1  0  0  0
 22 55  1  0  0  0
 24 56  1  0  0  0
M  END

>  <Chemical Name>
11,9-epoxymethano PGH2

>  <PubChem CID>
91898397

>  <Formula>
C20H32O4

>  <Molecular Weight>
336.472000

>  <IUPAC Name>
(Z)-6-[(1S,2S,3R,4R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxabicyclo[2.2.1]heptan-2-yl]hex-5-enoic acid

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCCC(C=CC1C2CC(C1C=CCCCC(=O)O)CO2)O

>  <Isomeric SMILES>
CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1/C=C\CCCC(=O)O)CO2)O

>  <InChI Std. ID>
InChI=1S/C20H32O4/c1-2-3-5-8-16(21)11-12-18-17(15-13-19(18)24-14-15)9-6-4-7-10-20(22)23/h6,9,11-12,15-19,21H,2-5,7-8,10,13-14H2,1H3,(H,22,23)/b9-6-,12-11+/t15-,16+,17+,18-,19-/m1/s1

>  <InChI Key>
DLSJSZVOTKYJET-QNNYBNNASA-N

