HMDB0013439 RDKit 3D PC(O-20:0/18:3(6Z,9Z,12Z)) 143142 0 0 0 0 0 0 0 0999 V2000 10.0289 1.3098 0.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9698 0.2683 0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -0.1660 -0.7486 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2457 0.9695 -1.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9474 1.5714 -1.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4229 2.6730 -1.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2495 2.6886 -2.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3162 1.5656 -2.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9451 1.0592 -3.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6962 1.0329 -4.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5214 1.4764 -3.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7979 2.5148 -4.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6325 3.7125 -3.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1361 4.1713 -2.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0665 4.5759 -1.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6901 5.1548 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6743 4.3422 0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3334 3.0673 1.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2737 2.3269 1.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 2.4583 1.2763 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0122 1.1787 1.8917 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7731 0.1347 1.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1196 0.4292 1.1134 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8821 -0.5375 0.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5515 -0.5956 -0.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9238 0.6800 -1.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6453 0.9493 -3.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0874 0.0258 -4.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -1.2766 -4.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9226 -2.1799 -5.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0216 -3.4156 -5.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4051 -4.4619 -6.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7257 -5.0999 -6.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1648 -5.8692 -4.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3125 -5.1293 -3.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7473 -6.0132 -2.5282 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0402 -6.6866 -2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5348 -7.5707 -1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8733 -7.0639 -0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8404 -6.4268 0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6273 -7.2730 0.8187 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6779 -6.4551 1.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4321 -7.2058 2.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7649 1.4654 3.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0349 2.3800 3.9747 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9023 2.6610 5.4098 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.3368 3.0323 5.1133 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9304 1.2686 6.3763 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.1708 3.9473 6.1969 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9938 5.0585 6.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4276 6.2674 6.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8082 6.7289 6.2729 N 0 0 0 0 0 4 0 0 0 0 0 0 1.7873 6.9103 7.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6446 8.0046 5.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4055 5.7786 5.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8254 1.2831 0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5695 2.3248 0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5395 1.1161 1.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2999 -0.6511 1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0511 0.5940 1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8514 -0.8994 -0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5588 -0.6529 -1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0165 1.7461 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0183 0.5477 -2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3257 2.0780 -0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2768 0.8123 -0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1027 3.5599 -1.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9837 3.6023 -3.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4615 1.7227 -1.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8663 0.6872 -1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7837 0.7094 -4.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5609 0.6332 -5.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7695 1.6647 -2.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8173 0.5505 -3.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3935 2.2082 -5.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0599 4.4101 -4.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6676 5.1593 -2.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9304 3.5738 -1.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 5.4167 -1.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6503 3.7858 -1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1883 6.1258 -0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1393 5.4656 0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5874 4.1793 -0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1456 5.0421 1.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9715 0.7707 2.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6924 -0.8705 1.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3472 -0.0561 0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9569 -0.3939 0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5998 -1.5290 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -0.9717 -1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3116 -1.3658 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4249 1.5357 -1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0267 0.9147 -1.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5335 1.1984 -3.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1053 1.9734 -3.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2095 -0.1506 -4.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9605 0.5059 -5.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2501 -1.8189 -3.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2775 -1.0604 -4.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8725 -1.6881 -6.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9436 -2.4383 -4.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7234 -3.6871 -4.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0192 -2.9961 -5.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1835 -4.0645 -7.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 -5.2903 -6.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7701 -5.8107 -7.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5661 -4.3823 -6.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4771 -6.7710 -4.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1625 -6.3671 -5.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 -4.3124 -3.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3804 -4.6727 -3.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7609 -5.3252 -1.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8996 -6.7160 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9301 -7.3556 -3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8723 -5.9754 -2.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4602 -8.1588 -2.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7533 -8.4043 -1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6741 -6.2533 -0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4586 -7.8320 0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6119 -5.4106 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3789 -6.3389 1.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8799 -8.2255 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1012 -7.4963 -0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -6.1608 2.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3686 -5.5303 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4935 -6.6837 1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4071 -8.2128 1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3934 -7.2957 3.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 1.8974 3.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9175 0.5183 3.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9686 4.7633 6.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2967 5.2936 5.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2669 6.0173 7.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1651 7.1148 6.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7763 7.1204 6.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 7.7795 7.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8133 5.9670 7.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 8.4090 5.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 7.7970 4.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0991 8.6908 6.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6635 5.4253 4.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8727 4.9066 5.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1931 6.2992 4.7301 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 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 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 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 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 21 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 1 22 86 1 0 22 87 1 0 24 88 1 0 24 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 53135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 55143 1 0 M CHG 2 48 -1 52 1 M END