HMDB0298258 RDKit 3D DG(a-25:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/0:0) 142141 0 0 0 0 0 0 0 0999 V2000 21.2168 0.2095 1.9625 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4555 0.3544 0.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2639 1.1872 0.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0647 0.7956 0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7592 -0.5951 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0622 -0.5174 -1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8912 -1.0158 -1.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9616 -1.7460 -0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2246 -2.1459 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6006 -1.7518 1.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5060 -0.8327 2.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9022 -0.1258 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6471 -0.2202 0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7241 -1.0950 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4746 -1.1750 0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 -0.4576 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3774 -1.4617 -1.2631 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6554 0.3708 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6414 -0.5170 0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1853 -0.3952 1.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5977 0.6170 2.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 1.4211 3.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 2.0109 1.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5087 2.9923 1.3182 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8191 1.5096 1.1031 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3565 2.0020 -0.1318 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4449 0.8459 -1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6202 -0.1708 -0.6315 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8902 2.3673 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 1.1917 0.3061 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1744 1.1161 0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8684 2.1152 0.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8183 -0.1425 0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2884 -0.0790 0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2877 0.0129 -1.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6557 0.0632 -1.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4531 -1.1931 -1.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8053 -1.1545 -2.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5727 -2.4067 -1.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9267 -2.4475 -0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8637 -1.4053 0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2635 -1.4368 -0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7124 -1.3692 -1.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3985 -0.1910 -2.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9244 1.1189 -2.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4474 1.1889 -1.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1096 0.9424 -3.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5636 1.0526 -3.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5303 0.2027 -2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5304 0.2298 -1.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7058 -0.6552 -0.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8112 -0.7964 0.7825 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0030 0.3699 1.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9328 1.4077 1.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2444 -0.1525 3.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4471 0.9914 4.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6945 -0.4941 2.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3042 1.2461 2.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2383 -0.1124 1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3585 -0.6371 0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1761 0.9804 -0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4077 2.2285 1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1612 1.4202 0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2062 -1.1054 0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6839 -1.1843 -0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6135 0.0179 -2.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5359 -0.8283 -2.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8617 -2.8014 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9142 -1.3544 -0.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0476 -2.9399 0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9805 -2.2101 2.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7171 -1.2742 2.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9333 -0.0234 2.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5412 0.5984 0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3364 0.3985 -0.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0467 -1.6924 1.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8586 -1.8883 1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5264 0.1487 -0.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2068 -1.9517 -1.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2252 0.7473 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 1.2652 0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2713 -1.3135 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4168 -1.1425 2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8568 0.1169 3.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3295 1.3481 2.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5876 0.7024 3.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5796 2.2455 3.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9599 2.8635 -0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 1.1560 -2.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 0.4445 -1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1964 -0.7066 -1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7004 3.1305 0.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 2.7725 -1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -0.2975 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3957 -1.0436 0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6869 0.8416 0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8093 -1.0028 0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7444 -0.8950 -1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7292 0.8696 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2186 0.9605 -1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6231 0.0851 -2.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9081 -2.0609 -1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 -1.2074 -0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3193 -0.2405 -1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6215 -1.0710 -3.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8857 -3.3094 -1.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3759 -2.5085 -2.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9908 -2.3878 0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3098 -3.4918 -0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3574 -0.4155 0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8684 -1.5079 1.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6894 -2.4234 0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8897 -0.6951 0.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6177 -2.3028 -2.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8832 -1.3247 -1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3399 -0.0620 -2.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8968 -0.4007 -3.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5370 1.4520 -1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6392 1.8778 -2.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6492 2.2615 -1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7624 0.5852 -1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8141 -0.0962 -3.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6418 1.6085 -3.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8266 2.1488 -3.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8580 1.0843 -4.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3389 -0.8671 -2.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5759 0.4808 -2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6604 -0.2466 -0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7116 1.2694 -0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6407 -0.2649 -1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5210 -1.6463 -1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8976 -1.4144 1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6663 -1.5393 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9502 0.8990 1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9482 1.0516 1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2026 2.3266 1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8133 1.7612 2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3626 -0.7252 3.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1305 -0.8008 3.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7903 1.9199 3.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2242 0.7084 4.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5188 1.1890 4.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 26 88 1 6 27 89 1 0 27 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 54135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 56142 1 0 M END