16061054 -OEChem-04182400412D 52 52 0 1 0 0 0 0 0999 V2000 13.4292 -1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9292 -0.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9292 -0.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7953 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.0670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6613 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5273 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5273 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3933 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3676 -1.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4908 -1.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1938 0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3967 0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6613 -1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0643 -0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3153 1.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9167 0.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7033 0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9303 1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0833 1.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 9 2 1 6 0 0 0 2 44 1 0 0 0 0 3 21 1 0 0 0 0 3 52 1 0 0 0 0 4 21 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 6 0 0 0 5 23 1 0 0 0 0 6 8 1 6 0 0 0 6 24 1 0 0 0 0 7 15 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 12 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 18 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 M END > 16061054 > 1 > 362 > 4 > 2 > 13 > AAADceB4OAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAABgCIACDSCAAAAAAgAAAICAEAAAgAFBIAIQACUAAEwAAIMAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (E,9S)-9-hydroxy-11-[(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]undec-10-enoic acid > (E,9S)-9-hydroxy-11-[(2R,3S)-3-[(Z)-pent-2-enyl]-2-oxiranyl]-10-undecenoic acid > (E,9S)-9-hydroxy-11-[(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]undec-10-enoic acid > (E,9S)-9-hydroxy-11-[(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]undec-10-enoic acid > (E,9S)-9-oxidanyl-11-[(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]undec-10-enoic acid > (E,9S)-9-hydroxy-11-[(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]undec-10-enoic acid > InChI=1S/C18H30O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h3,7,13-17,19H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-,14-13+/t15-,16-,17+/m0/s1 > MGYJEJUWQRJNBN-OADLNGDBSA-N > 3.6 > 310.21440943 > C18H30O4 > 310.4 > CCC=CCC1C(O1)C=CC(CCCCCCCC(=O)O)O > CC/C=C\C[C@H]1[C@H](O1)/C=C/[C@H](CCCCCCCC(=O)O)O > 70.1 > 310.21440943 > 0 > 22 > 3 > 0 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 9 2 6 5 7 6 6 8 6 $$$$