12068863 -OEChem-03192405082D 51 51 0 1 0 0 0 0 0999 V2000 11.9356 -2.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -4.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -2.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3665 -2.5737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4154 -2.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -1.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6755 -3.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9845 -2.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4434 2.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6755 -3.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6723 -2.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5774 2.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -0.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4434 1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5774 3.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 -3.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 -2.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3094 -0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3094 0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 -3.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7114 4.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2695 -1.9613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 -1.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9268 -1.8829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3110 -4.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0540 1.9065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6555 2.5967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0399 -4.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9668 2.6218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3654 1.9315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8012 -3.5402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7124 -0.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8328 1.1218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2314 0.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1880 3.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7894 4.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -3.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 -3.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5923 -2.0183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7725 -0.7959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8464 0.8241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 -2.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5384 -2.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 -4.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7724 -4.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0214 4.5511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1744 4.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4014 3.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 23 1 0 0 0 0 2 51 1 0 0 0 0 3 23 2 0 0 0 0 4 5 1 6 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 13 2 0 0 0 0 7 10 2 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 11 17 2 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 18 1 0 0 0 0 13 34 1 0 0 0 0 14 19 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 22 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 M END > 12068863 > 1 > 495 > 3 > 1 > 11 > AAADceB4MAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGgAACAAADQSAgAACCAAAAgCIAqDSCAAAAAAgAAAICAEAAEgIABIAAQAAQAAEgAAIgYOIAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (E)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxo-cyclopent-2-en-1-yl]hept-5-enoic acid > (E)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxo-1-cyclopent-2-enyl]-5-heptenoic acid > (E)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid > (E)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid > (E)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxidanylidene-cyclopent-2-en-1-yl]hept-5-enoic acid > (E)-7-[(1S,5E)-4-keto-5-[(E)-oct-2-enylidene]cyclopent-2-en-1-yl]hept-5-enoic acid > InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7+,10-6+,18-13+/t17-/m0/s1 > VHRUMKCAEVRUBK-IMTKWVLRSA-N > 5 > 316.20384475 > C20H28O3 > 316.4 > CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)O > CCCCC/C=C/C=C/1\[C@H](C=CC1=O)C/C=C/CCCC(=O)O > 54.4 > 316.20384475 > 0 > 23 > 1 > 0 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 4 5 6 $$$$