HMDB0289190 RDKit 3D PC(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/DiMe(13,5)) 156156 0 0 0 0 0 0 0 0999 V2000 -2.3346 -7.6302 -3.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6988 -7.0901 -1.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5662 -6.1485 -1.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0645 -6.3094 0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9229 -7.4122 1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1671 -8.5838 0.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1307 -9.1358 1.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3915 -8.7315 2.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7277 -7.6080 3.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0319 -6.5641 3.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3522 -6.3881 2.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3602 -6.2782 3.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1329 -5.2376 4.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0466 -4.0506 3.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3627 -3.7402 2.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9485 -2.6151 2.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4388 -1.5607 3.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0318 -0.4105 3.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3046 -0.0224 3.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1826 -1.1456 3.2044 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9731 1.1046 3.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1381 2.2972 4.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6215 2.9758 2.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0715 2.6986 1.7237 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6633 3.8775 2.9611 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8226 4.7377 2.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7599 4.1535 1.4522 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3799 3.8875 0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 3.5006 -0.7793 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1118 3.2576 -2.2759 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2067 3.5089 -3.4343 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4257 4.3118 -2.3837 O 0 0 0 0 0 1 0 0 0 0 0 0 3.7295 1.6708 -2.3506 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 0.9511 -3.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5027 -0.4416 -3.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4643 -1.1641 -2.1004 N 0 0 0 0 0 4 0 0 0 0 0 0 4.7188 -1.8689 -1.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2121 -0.3355 -0.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4271 -2.1759 -2.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7616 5.1871 1.2685 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5102 4.9411 1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4162 3.8686 2.5278 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5525 5.9366 1.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 5.4936 2.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3407 4.2310 1.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6334 3.7302 2.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0165 2.4094 1.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2636 1.7978 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5153 0.4727 1.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6929 0.6079 0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8738 -0.7754 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1439 -1.0018 -1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2246 -0.3901 -2.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 1.0924 -2.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5041 1.6385 -4.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 2.4005 -3.7737 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8473 2.7187 -4.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6306 3.5822 -4.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9205 4.9507 -5.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6903 5.8088 -5.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2353 6.0226 -3.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 6.9072 -3.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4706 2.1441 -5.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1275 2.2055 -7.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5468 1.4447 -5.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5216 0.6596 -6.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6862 -8.6576 -2.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7104 -7.5142 -3.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2774 -7.0138 -3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -6.3853 -2.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -7.7794 -1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -5.1873 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7027 -5.4327 0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5558 -6.9714 2.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9902 -7.7441 1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5745 -9.1546 -0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7537 -10.0765 0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7155 -8.7626 2.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4635 -9.6590 3.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6734 -7.6134 3.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2956 -5.7340 4.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6517 -7.2113 2.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2326 -5.5171 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4879 -7.1272 4.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8722 -5.2151 4.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6999 -3.2271 3.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3605 -4.2024 2.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7626 -4.5583 1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 -2.4690 2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4678 -1.6452 4.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5208 0.3300 4.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2687 0.2489 2.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9143 -1.0501 2.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2036 0.6981 4.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9593 1.3258 3.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3395 2.1367 4.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7894 3.0868 4.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3414 5.5545 1.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2463 5.3667 3.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3545 3.2936 1.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0814 3.0521 0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 4.8339 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0505 1.4747 -4.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8919 0.9943 -3.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5491 -0.4537 -3.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9263 -0.9841 -4.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4626 -1.4328 -2.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1221 -1.7451 -0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6237 -2.9580 -2.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0907 0.1940 -0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3137 0.3203 -1.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 -1.0236 -0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5196 -2.8031 -3.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4793 -2.8112 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4435 -1.6583 -2.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7151 6.1037 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2775 6.8986 2.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6386 5.4024 3.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5525 6.3444 2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5963 4.3550 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5773 3.4476 1.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4434 4.4643 2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4018 3.5735 3.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1621 2.5869 0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1792 1.6918 1.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1229 1.6004 3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1330 2.4777 2.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6012 -0.1589 1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3995 -0.0301 2.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5264 1.2553 -0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 1.0043 -0.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7067 -1.2897 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9615 -1.3764 -0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2144 -0.6417 -2.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2512 -2.1125 -1.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2720 -0.9359 -3.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1718 -0.5703 -2.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5130 1.2520 -3.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3305 1.6655 -2.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1865 3.6211 -3.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 3.0361 -5.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7437 5.4306 -4.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3563 4.9028 -6.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8488 6.7664 -5.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1714 5.2792 -5.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0376 5.0610 -3.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0764 6.5210 -3.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 7.4354 -2.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9101 6.2757 -4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9447 7.6288 -4.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 2.2722 -7.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5345 3.0702 -7.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4529 1.2724 -7.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3456 -0.4435 -6.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5416 0.9097 -5.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4006 0.9319 -7.2602 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 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 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 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 27 40 1 0 40 41 1 0 41 42 2 0 41 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 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 57 63 2 0 63 64 1 0 63 65 1 0 65 66 1 0 65 55 2 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 18 91 1 0 19 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 22 96 1 0 22 97 1 0 26 98 1 0 26 99 1 0 27100 1 1 28101 1 0 28102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 37107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 39115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 58140 1 0 58141 1 0 59142 1 0 59143 1 0 60144 1 0 60145 1 0 61146 1 0 61147 1 0 62148 1 0 62149 1 0 62150 1 0 64151 1 0 64152 1 0 64153 1 0 66154 1 0 66155 1 0 66156 1 0 M CHG 2 32 -1 36 1 M END