HMDB0296677 RDKit 3D DG(22:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 131130 0 0 0 0 0 0 0 0999 V2000 -15.0218 -1.3207 -2.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0360 -1.2669 -0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4727 -0.1979 0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5693 -0.0465 1.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1697 0.3785 1.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8569 1.7167 0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2152 2.2374 -0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7686 1.7258 -2.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3449 1.7319 -2.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3911 0.8579 -1.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6686 -0.5852 -1.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8594 -1.6099 -1.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7582 -1.7514 0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2603 -0.8079 1.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8490 -0.3821 1.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4869 0.3719 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0071 0.7876 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0881 -0.3859 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6612 0.1103 0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2949 0.9388 -1.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8743 1.4299 -1.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0468 0.2492 -1.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4468 -0.8676 -1.3409 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3762 0.3626 -0.7815 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 -0.7136 -0.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8664 -1.7955 0.1971 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8231 -2.7844 0.1401 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4804 -1.3066 1.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5186 -0.7626 2.2551 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6767 -1.3450 2.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8906 -2.5502 2.4222 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6657 -0.5634 3.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0266 -0.4913 2.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9853 0.1810 1.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 1.5500 1.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1665 2.5865 1.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5733 2.6285 0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3313 3.5070 1.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3642 3.2321 2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1073 1.9950 2.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7101 0.7854 1.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3904 0.1412 0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7314 0.6355 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7388 -0.3881 0.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4709 -0.9244 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3087 -0.5065 -1.6885 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5440 0.8876 -1.8239 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1839 -1.2608 -2.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6424 -1.1483 -2.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3189 -1.5201 -1.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8494 -1.3365 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7778 -0.4929 -2.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0403 -1.1254 -1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9133 -2.2773 -2.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0363 -1.1710 -1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1531 -2.2331 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4514 -0.6247 0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8251 0.7289 -0.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0473 0.6454 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5602 -1.0307 1.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6932 0.3359 2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6238 -0.4552 0.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8020 1.9924 0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4353 2.4250 1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3415 2.4212 -0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8552 3.3481 -0.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2810 2.3974 -2.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1935 0.7232 -2.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9056 2.7770 -2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2791 1.4061 -3.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3149 1.2475 -0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3679 1.1029 -2.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7546 -0.7407 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7127 -0.8421 -2.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3939 -2.6369 -1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9158 -1.7764 -1.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2527 -2.7956 0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8316 -2.0650 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4797 -1.1907 2.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8887 0.1195 1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6484 0.3100 2.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2178 -1.3102 1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0265 1.3660 -0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7391 -0.1472 -0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8855 1.4104 -0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8539 1.4178 0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2476 -0.9683 0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2513 -1.1038 -0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9942 -0.7441 0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6329 0.8178 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 1.8255 -1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4817 0.3287 -2.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6025 2.0173 -1.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6936 2.0113 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3156 -0.3941 -0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -1.1592 -1.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9117 -2.2914 -0.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4428 -3.6877 0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8914 -2.0721 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7277 -0.4720 1.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8209 -1.0061 4.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2408 0.4468 3.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4035 -1.5282 2.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6893 0.0354 3.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8909 0.0443 0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2112 -0.4542 0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4274 1.7061 1.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6995 3.5897 1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0016 1.6926 0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4661 3.1985 -0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9079 4.5810 1.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7443 4.1312 2.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0176 1.7332 3.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2303 2.1777 2.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7669 0.2953 2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0067 -0.7816 0.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6464 0.7773 -0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9429 1.6364 0.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8861 -0.7170 1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1831 -1.7204 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2544 -0.6755 -1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0766 1.1758 -2.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9217 -0.9155 -3.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8381 -2.3435 -2.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0117 -0.1332 -2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0880 -1.8191 -3.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2145 -2.5289 -0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1167 -0.7055 -0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0501 -1.8101 -2.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4022 -1.9115 -0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1250 -0.2801 -1.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 6 27 98 1 0 28 99 1 0 28100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 45120 1 0 46121 1 6 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 51131 1 0 M END