HMDB0289202 RDKit 3D PC(18:3(10,12,15)-OH(9)/DiMe(13,5)) 150150 0 0 0 0 0 0 0 0999 V2000 3.5657 7.8175 3.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 6.7647 1.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8884 5.6360 2.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 5.2683 1.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0635 4.1790 1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1216 3.0998 0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3831 1.8622 0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4383 0.7652 -0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6986 -0.4687 0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7187 -1.4888 -1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9946 -1.5311 -1.5365 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 -2.8005 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1775 -3.9970 -1.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2701 -3.9959 -2.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6693 -3.2178 -3.7371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4068 -3.1758 -4.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5814 -2.4852 -4.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7966 -2.3104 -5.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7836 -1.5216 -4.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4398 -0.6152 -4.8891 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9309 -1.8137 -3.0367 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 -1.1381 -2.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6415 -1.7996 -0.7510 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5074 -3.0398 -0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0950 -3.9618 -1.7327 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1437 -5.3015 -1.7118 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.6415 -6.3044 -0.6974 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6866 -4.7534 -1.2868 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.2057 -6.0276 -3.2546 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2879 -5.0399 -4.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3559 -5.6385 -5.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2303 -6.4634 -5.9701 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.5116 -7.0196 -4.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 -5.7610 -6.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6872 -7.6153 -6.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2504 -0.9928 0.2866 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 -0.6198 1.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2365 -1.0502 1.2814 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8061 0.1723 2.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7461 1.0250 3.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4925 0.3514 3.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5096 1.3812 4.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2166 0.6906 4.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8479 1.5900 5.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1183 0.8353 5.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1599 1.7909 5.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4276 1.1297 6.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2144 0.3848 5.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8172 1.0079 4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9276 1.6187 3.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7395 2.1636 1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8581 1.7006 0.7123 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6588 2.4454 -0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0208 2.2118 -1.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3193 3.1134 -2.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8169 2.9292 -2.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1357 3.8593 -3.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6271 3.6867 -3.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1107 3.4901 0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0343 4.5889 0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5095 3.2949 1.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7613 4.2238 3.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6714 7.5279 3.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 8.7879 2.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4244 8.0103 3.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8638 7.1949 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 6.3502 2.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9262 5.1153 3.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0265 5.8388 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0503 4.6322 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2797 3.7102 2.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9732 3.2385 -0.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 1.5903 1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 0.9994 -1.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8866 -0.7812 1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0399 -1.0993 -1.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6073 -2.1735 -1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9368 -3.1121 0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -2.7045 -0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8261 -4.8744 -0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1938 -4.3895 -1.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 2.3602 2.6298 -3.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4810 4.3059 -0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8777 4.6914 1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5163 5.5667 0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9315 5.2397 2.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7369 3.9424 3.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9583 4.2112 3.8924 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 2 0 9 10 1 0 10 11 1 0 10 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 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 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 53 59 2 0 59 60 1 0 59 61 1 0 61 62 1 0 61 51 2 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 22 92 1 0 22 93 1 0 23 94 1 1 24 95 1 0 24 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 33101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 35109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 54134 1 0 54135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 57140 1 0 57141 1 0 58142 1 0 58143 1 0 58144 1 0 60145 1 0 60146 1 0 60147 1 0 62148 1 0 62149 1 0 62150 1 0 M CHG 2 28 -1 32 1 M END