LMFA03120028 LIPID_MAPS_STRUCTURE_DATABASE 41 41 0 0 0 999 V2000 8.9415 8.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9415 9.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9725 10.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3734 9.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9725 8.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7659 10.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6483 9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7659 8.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6483 8.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6575 11.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6672 8.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5496 8.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4321 8.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6778 7.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5307 10.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4132 9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2955 10.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1779 9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0603 10.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9427 9.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0603 11.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8250 10.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4510 8.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3333 8.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2157 8.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3545 9.2589 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.5307 11.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6483 9.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7659 11.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2754 12.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0402 12.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7659 13.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2943 12.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0591 12.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5307 13.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5307 9.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4132 9.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5307 9.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3983 7.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1345 6.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3824 7.3085 0.0000 O 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 1 6 0 0 0 6 7 1 0 0 0 0 1 8 1 1 0 0 0 8 9 1 0 0 0 0 3 10 2 0 0 0 0 9 11 2 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 1 14 1 6 0 0 0 15 7 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 13 23 2 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 4 26 1 0 0 0 0 15 27 1 1 0 0 0 7 28 1 1 0 0 0 6 29 1 1 0 0 0 29 30 1 0 0 0 0 27 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 2 0 0 0 0 31 34 2 0 0 0 0 31 35 1 0 0 0 0 28 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 14 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 M END > LMFA03120028 > 12S-acetoxy-punaglandin 1 > methyl 5S,6R,7R,12S-tetraacetoxy-9-oxo-10-chloro-10Z,14Z,17Z-prostatrienoate-cyclo[8R,12S] > C29H39O11Cl > 598.22 > Fatty Acyls [FA] > Eicosanoids [FA03] > Clavulones [FA0312] > - > > WSNKKWSUXVPBMX-QIOHZNKMSA-N > InChI=1S/C29H39ClO11/c1-7-8-9-10-11-12-16-29(41-21(5)34)17-22(30)26(36)25(29)28(40-20(4)33)27(39-19(3)32)23(38-18(2)31)14-13-15-24(35)37-6/h8-9,11-12,17,23,25,27-28H,7,10,13-16H2,1-6H3/b9-8-,12-11-/t23-,25+,27+,28+,29+/m0/s1 > [C@@]1(OC(=O)C)(C/C=C\C/C=C\CC)C=C(Cl)C(=O)[C@@H]1[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(C)=O)CCCC(=O)OC > - > - > - > - > - > - > 5283243 > XPR8016 > 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] > -; -; -; - > 360972 > 7857405 $$$$