LMFA03120036 LIPID_MAPS_STRUCTURE_DATABASE 37 37 0 0 0 0 0 0 0 0999 V2000 7.3372 7.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3372 8.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5525 8.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0675 7.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5525 6.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0046 8.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0046 6.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7191 7.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2975 9.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5441 7.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2585 6.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9730 7.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1236 6.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7980 7.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5124 6.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2268 7.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2425 7.5896 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0046 9.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7191 9.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4335 9.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1480 9.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8624 9.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5768 9.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2913 9.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5768 10.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0057 9.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7191 10.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 9.7245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1315 11.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9565 11.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7191 11.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 10.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5757 10.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0046 10.9620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6864 5.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5038 6.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4934 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 2 6 2 0 0 0 0 1 7 1 1 0 0 0 7 8 1 0 0 0 0 3 9 2 0 0 0 0 8 10 2 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 1 13 1 6 0 0 0 12 14 2 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 4 17 1 0 0 0 0 6 18 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 19 27 1 1 0 0 0 18 28 1 6 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 28 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 13 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 M END > LMFA03120036 > 12R-acetoxy-7Z-punaglandin 3 > methyl 5S,6S,12R-triacetoxy-9-oxo-10-chloro-7Z,10E,14Z,17Z-prostatetraenoate-cyclo[8,12R] > C27H35ClO9 > 538.20 > Fatty Acyls [FA] > Eicosanoids [FA03] > Clavulones [FA0312] > - > > OPEISPBBJXUHDT-UMZOOEDQSA-N > InChI=1S/C27H35ClO9/c1-6-7-8-9-10-11-15-27(37-20(4)31)17-22(28)26(33)21(27)16-24(36-19(3)30)23(35-18(2)29)13-12-14-25(32)34-5/h7-8,10-11,16-17,23-24H,6,9,12-15H2,1-5H3/b8-7-,11-10-,21-16+/t23-,24-,27+/m0/s1 > [C@@]1(OC(C)=O)(C/C=C\C/C=C\CC)C=C(Cl)C(=O)/C/1=C\[C@H](OC(=O)C)[C@@H](OC(C)=O)CCCC(=O)OC > - > - > - > - > - > - > 5283251 > XPR8024 > Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01] > Unsaturated fatty acids [FA0103]; Oxo fatty acids [FA0106]; Halogenated fatty acids [FA0109]; Carbocyclic fatty acids [FA0114] > -; -; -; - > - > - $$$$