11131448 -OEChem-03282422272D 58 57 0 1 0 0 0 0 0999 V2000 5.4641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 6 0 0 0 1 36 1 0 0 0 0 2 22 1 0 0 0 0 2 24 1 0 0 0 0 3 22 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 13 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 16 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 22 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 18 2 0 0 0 0 15 46 1 0 0 0 0 16 20 2 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 21 23 2 0 0 0 0 21 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 M END > 11131448 > 1 > 405 > 3 > 1 > 15 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAABgCIACDSCAAAAAAgAAAICAEAAAgAEBIAAQAAQAAEgAAIAAOIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > methyl (5Z,8Z,11Z,14Z,18S)-18-hydroxyicosa-5,8,11,14-tetraenoate > (5Z,8Z,11Z,14Z,18S)-18-hydroxyeicosa-5,8,11,14-tetraenoic acid methyl ester > methyl (5Z,8Z,11Z,14Z,18S)-18-hydroxyicosa-5,8,11,14-tetraenoate > methyl (5Z,8Z,11Z,14Z,18S)-18-hydroxyicosa-5,8,11,14-tetraenoate > methyl (5Z,8Z,11Z,14Z,18S)-18-oxidanylicosa-5,8,11,14-tetraenoate > (5Z,8Z,11Z,14Z,18S)-18-hydroxyeicosa-5,8,11,14-tetraenoic acid methyl ester > InChI=1S/C21H34O3/c1-3-20(22)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21(23)24-2/h5-8,11-14,20,22H,3-4,9-10,15-19H2,1-2H3/b7-5-,8-6-,13-11-,14-12-/t20-/m0/s1 > DKBVRHJJWSVJKU-AQDMAJIMSA-N > 5.1 > 334.25079494 > C21H34O3 > 334.5 > CCC(CCC=CCC=CCC=CCC=CCCCC(=O)OC)O > CC[C@@H](CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC)O > 46.5 > 334.25079494 > 0 > 24 > 1 > 0 > 4 > 0 > 0 > 1 > -1 > 1 5 255 > 4 1 6 $$$$