HMDB0010679 RDKit 3D PG(18:3(9Z,12Z,15Z)/18:1(9Z)) 128127 0 0 0 0 0 0 0 0999 V2000 -12.7699 3.4933 -3.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1144 2.3740 -2.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2542 1.0843 -3.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4858 0.0583 -2.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4033 -0.0168 -1.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7488 -1.0816 -0.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9014 -0.8298 0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7812 0.4610 1.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7278 0.2952 2.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6617 1.0427 2.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2770 2.1453 1.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9132 1.7711 0.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0322 0.5194 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7393 0.1043 -0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6390 -0.3604 0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0804 0.4541 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8707 -0.3618 1.8613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8976 -0.4669 0.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6114 0.5852 0.1447 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3738 -1.6745 0.4139 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -1.8883 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1014 -1.3199 -0.2096 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3041 -2.0662 1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -1.7019 1.5395 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9928 -2.4791 2.9426 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9444 -1.5399 3.6911 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -2.7354 3.9842 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8058 -3.9142 2.7145 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 -4.7265 1.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0563 -6.0038 1.6560 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4824 -6.8065 0.6981 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4854 -5.6335 1.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2536 -6.8172 1.3079 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1706 0.0481 0.0135 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6971 0.9808 -0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5172 0.4512 -1.3969 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5432 2.3995 -0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 3.1883 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6639 2.8297 1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3668 1.5325 0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3700 1.4533 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4226 2.5559 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3915 2.4281 -1.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4232 3.4534 -1.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6967 3.3055 -1.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 2.1169 -0.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9652 0.7588 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0920 -0.3043 -0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0950 -0.1993 -2.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1706 -1.2624 -1.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9606 -1.2288 -0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6928 0.0692 -0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6763 0.3901 -1.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7402 4.4711 -2.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7565 3.3323 -3.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5699 3.4490 -4.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0984 2.7006 -1.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3122 2.3882 -1.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0251 0.9574 -3.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6633 -0.8768 -3.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1727 0.9481 -1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5106 -0.4504 -2.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8691 -2.0880 -1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1589 -1.6902 1.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5768 1.3273 0.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7872 0.5887 1.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8799 -0.5006 2.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9349 0.8169 3.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0817 3.0986 1.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9272 2.3183 0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1406 1.8945 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7633 2.6093 -0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5232 -0.3111 0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7496 0.6757 -0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3838 1.0110 -1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9915 -0.6618 -1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7926 -0.6820 -0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8757 -1.3835 0.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7541 1.4232 0.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7428 0.4612 2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4765 0.1525 2.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2923 -1.3234 2.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8062 -1.3615 -1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3644 -2.9575 -0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6949 -1.5557 -0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1269 -3.1485 0.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4475 -1.7276 1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0887 -2.1685 3.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1911 -4.9679 2.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -4.2442 0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9599 -6.5097 2.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8703 -7.4534 1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6149 -5.1004 0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 -5.0115 2.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6691 -7.4932 0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0869 2.8802 -1.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 2.5265 0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4859 4.2853 -0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 3.1854 -1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0077 2.8184 1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.6549 1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7218 0.6637 0.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9987 1.3762 1.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8305 0.4526 -0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8493 1.5765 -1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9172 2.3577 0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9753 3.5491 -0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7164 2.7483 -2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6196 1.4138 -1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0233 4.5347 -1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2941 4.3062 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2276 2.2051 -1.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2585 2.1651 -0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3066 0.5030 -0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5149 0.4997 -2.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5717 -0.1892 0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5688 -1.2764 -0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5907 -0.3128 -2.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5536 0.8144 -1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6648 -2.2511 -1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8085 -1.1908 -2.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7228 -2.0494 -0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3270 -1.4876 0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3047 -0.0380 0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0334 0.9282 -0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9863 1.4515 -1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5532 -0.2661 -1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1665 0.2783 -2.4797 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 22 34 1 0 34 35 1 0 35 36 2 0 35 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 2 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 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 0 21 84 1 0 22 85 1 6 23 86 1 0 23 87 1 0 27 88 1 0 29 89 1 0 29 90 1 0 30 91 1 1 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 53128 1 0 M END