HMDB0286309 RDKit 3D PC(18:1(11Z)/20:3(5Z,8Z,14Z)-O(11S,12R)) 139139 0 0 0 0 0 0 0 0999 V2000 -2.7086 -6.4965 3.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5337 -5.2514 4.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3786 -4.8804 5.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1638 -3.6675 5.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7653 -2.4289 5.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3411 -2.1762 5.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8676 -1.0779 5.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6808 0.0678 6.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 1.3254 5.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8444 1.5684 5.9194 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3419 1.2996 4.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1921 2.4784 3.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4089 2.8345 2.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5014 2.8215 1.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3879 2.4422 0.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0588 3.6077 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1244 3.5902 -1.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5222 2.4688 -2.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 1.9964 -3.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7637 1.4608 -2.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7984 2.2222 -2.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0103 1.7465 -2.2201 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6621 3.4040 -1.5686 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8032 4.0493 -0.9716 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5202 4.1050 0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3759 2.7830 0.9913 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 1.8103 0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4881 2.1294 0.5188 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 0.4225 1.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7602 0.1176 1.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5145 -1.2648 2.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9699 -2.3531 1.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6889 -3.7392 1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2104 -4.8159 1.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6313 -4.8585 -0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1652 -5.1264 -0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1384 -5.1076 -1.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5379 -5.4093 -2.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -4.5802 -2.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0517 -3.2697 -3.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8391 -2.1312 -2.8168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9393 -1.7601 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5076 -2.7442 -0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5535 -2.0923 0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1379 -1.7291 1.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8785 5.4420 -1.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 5.3133 -2.9257 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 6.7545 -3.7713 P 0 0 0 0 0 5 0 0 0 0 0 0 1.8015 7.4229 -3.9744 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1277 7.8284 -2.9202 O 0 0 0 0 0 1 0 0 0 0 0 0 3.8442 6.4979 -5.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9894 5.1114 -5.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 4.8795 -6.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7972 3.4848 -7.1689 N 0 0 0 0 0 4 0 0 0 0 0 0 5.4433 2.7329 -6.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5047 2.8287 -7.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5756 3.3305 -8.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6768 -6.3203 4.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1097 -7.3671 4.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 -6.5828 2.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5890 -5.4050 3.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1104 -4.4370 3.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7616 -5.7199 6.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2949 -4.7360 5.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2473 -3.8747 5.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9496 -3.4890 7.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4422 -1.5963 5.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9172 -2.7054 4.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5887 -2.9442 5.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7782 -1.0126 6.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7558 -0.0931 6.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 0.2981 7.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8926 2.2095 5.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8612 0.3403 4.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9951 3.3875 4.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2673 2.3828 3.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2915 3.1290 3.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4707 3.1125 1.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6768 1.5291 0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4457 2.1636 1.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7526 4.5490 0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8372 4.5587 -1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8926 1.5625 -1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4155 2.8405 -2.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3426 2.8787 -3.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0892 1.2870 -3.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2309 1.0877 -3.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 0.4867 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7166 3.4653 -1.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5592 4.6281 0.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3507 4.6361 1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 -0.2572 0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7559 0.3238 2.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1092 0.3770 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4515 0.8128 2.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4347 -1.3868 2.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9933 -1.3807 3.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0832 -2.2448 1.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5202 -2.3301 0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 -3.8393 2.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6312 -3.8621 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -4.6011 0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2121 -5.8143 1.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8618 -3.9027 -0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1311 -5.6670 -0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4694 -4.3811 0.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0737 -6.1404 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2814 -4.2334 -2.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4514 -6.0135 -2.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8955 -6.3973 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3964 -4.9821 -2.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2189 -3.3506 -4.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9691 -3.0538 -3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8855 -2.2413 -3.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4721 -1.2121 -3.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6019 -0.8427 -1.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 -1.3928 -1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5340 -3.0743 -0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -3.6201 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1788 -1.1765 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9213 -2.8245 1.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9075 -1.9292 2.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3893 -2.3095 0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9519 -0.6319 1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7266 6.0009 -1.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9779 6.0357 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0036 4.5976 -5.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5774 4.7433 -4.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9721 5.3074 -7.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5865 5.3970 -6.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5247 2.9228 -6.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9102 2.7934 -5.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 1.6488 -6.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6661 1.8899 -7.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7922 3.5152 -7.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 2.5460 -6.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 3.5698 -9.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8857 2.2730 -8.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4368 4.0259 -8.4388 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 2 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 24 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 11 9 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 1 25 90 1 0 25 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 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 45124 1 0 46125 1 0 46126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 55131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 M CHG 2 50 -1 54 1 M END