643684 -OEChem-03192405122D 55 54 0 1 0 0 0 0 0999 V2000 7.1962 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 6 0 0 0 1 51 1 0 0 0 0 2 21 1 0 0 0 0 2 55 1 0 0 0 0 3 21 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 12 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 17 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 18 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 19 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 20 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 M END > 643684 > 1 > 261 > 3 > 2 > 15 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAAAgCIACDSCAAAAAAgAAAICAEAAAgAEBIAAQAAQAAEwAAIAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (Z,12R)-12-hydroxyoctadec-9-enoic acid > (Z,12R)-12-hydroxy-9-octadecenoic acid > (Z,12R)-12-hydroxyoctadec-9-enoic acid > (Z,12R)-12-hydroxyoctadec-9-enoic acid > (Z,12R)-12-oxidanyloctadec-9-enoic acid > (Z,12R)-12-hydroxyoctadec-9-enoic acid > InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1 > WBHHMMIMDMUBKC-QJWNTBNXSA-N > 5.7 > 298.25079494 > C18H34O3 > 298.5 > CCCCCCC(CC=CCCCCCCCC(=O)O)O > CCCCCC[C@H](C/C=C\CCCCCCCC(=O)O)O > 57.5 > 298.25079494 > 0 > 21 > 1 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 6 1 6 $$$$