68850594 -OEChem-05142404592D 83 83 0 0 0 0 0 0 0999 V2000 8.0622 -4.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -7.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 7.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 7.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 8.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -7.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -2.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -1.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 0.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -0.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 5.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 6.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 4.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 3.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -1.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -2.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 6.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 5.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -0.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 3.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 4.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -3.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -2.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 6.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 7.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 0.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 3.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 2.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -6.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -6.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -5.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -5.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -2.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -3.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -5.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -5.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 7.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 6.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -6.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -6.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -5.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -5.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 8.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 9.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 8.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -7.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -5.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -6.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -6.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -8.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -8.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 27 2 0 0 0 0 3 33 1 0 0 0 0 3 83 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 10 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 11 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 12 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 13 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 14 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 15 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 18 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 19 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 21 1 0 0 0 0 14 54 1 0 0 0 0 14 55 1 0 0 0 0 15 22 1 0 0 0 0 15 56 1 0 0 0 0 15 57 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 58 1 0 0 0 0 16 59 1 0 0 0 0 17 23 1 0 0 0 0 17 60 1 0 0 0 0 17 61 1 0 0 0 0 18 27 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 19 28 1 0 0 0 0 19 66 1 0 0 0 0 19 67 1 0 0 0 0 20 24 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 22 2 0 0 0 0 21 68 1 0 0 0 0 22 69 1 0 0 0 0 23 25 1 0 0 0 0 23 70 1 0 0 0 0 23 71 1 0 0 0 0 24 26 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 26 31 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 29 32 2 0 0 0 0 29 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 30 80 1 0 0 0 0 31 33 2 0 0 0 0 31 81 1 0 0 0 0 32 33 1 0 0 0 0 32 82 1 0 0 0 0 M END > 68850594 > 1 > 473 > 3 > 1 > 22 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAyDoAABgCIAiDSCAACCAAgIAAIiAEGCIgMJzKGMRqCeiClwBUIuAeI6OyOIAAACAAIAABAAAAQABAAAAAAAAAAAA== > (2-hexyl-5-hydroxy-phenyl) (Z)-octadec-9-enoate > (Z)-9-octadecenoic acid (2-hexyl-5-hydroxyphenyl) ester > (2-hexyl-5-hydroxyphenyl) (Z)-octadec-9-enoate > (2-hexyl-5-hydroxyphenyl) (Z)-octadec-9-enoate > (2-hexyl-5-oxidanyl-phenyl) (Z)-octadec-9-enoate > (Z)-octadec-9-enoic acid (2-hexyl-5-hydroxy-phenyl) ester > InChI=1S/C30H50O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-30(32)33-29-26-28(31)25-24-27(29)22-20-8-6-4-2/h13-14,24-26,31H,3-12,15-23H2,1-2H3/b14-13- > BVPLDJMUNYYECC-YPKPFQOOSA-N > 11.8 > 458.37599545 > C30H50O3 > 458.7 > CCCCCCCCC=CCCCCCCCC(=O)OC1=C(C=CC(=C1)O)CCCCCC > CCCCCCCC/C=C\CCCCCCCC(=O)OC1=C(C=CC(=C1)O)CCCCCC > 46.5 > 458.37599545 > 0 > 33 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 24 26 8 24 29 8 26 31 8 29 32 8 31 33 8 32 33 8 $$$$