HMDB0009864 RDKit 3D PI(18:3(9Z,12Z,15Z)/18:1(9Z)) 138138 0 0 0 0 0 0 0 0999 V2000 -4.6707 -2.0484 -2.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2340 -1.3724 -1.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5236 -1.7984 -0.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -2.4087 0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3967 -2.8582 0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4145 -2.7057 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5233 -2.0099 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0723 -1.1717 0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4590 -1.0453 2.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9610 0.0558 2.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9745 1.3391 1.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4887 1.7420 1.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3183 3.0352 1.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8739 3.3981 0.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1665 3.5988 2.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7168 3.9413 2.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4387 5.1912 1.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9691 5.4535 1.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5905 6.3803 0.4517 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 4.7717 1.9109 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3855 5.0274 1.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1643 4.0826 2.7548 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6127 4.3291 2.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4054 3.4586 3.3929 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0353 3.9065 3.1970 P 0 0 0 0 0 5 0 0 0 0 0 0 6.5650 4.3102 4.5423 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1615 5.1927 2.0899 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8811 2.6163 2.5791 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 2.5318 1.1708 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1286 2.7498 0.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2764 4.1416 0.4005 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3551 2.0868 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7481 2.0293 -0.9144 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8833 0.6391 -0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1158 0.1033 -1.9911 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3681 0.7000 -0.5083 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9099 -0.6101 -0.5837 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1843 1.1648 0.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7290 0.2183 1.7596 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 2.7823 2.3076 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9381 2.0034 3.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5052 2.5356 4.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5143 0.6657 2.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0058 0.6244 1.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9975 0.8624 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 0.9249 -1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 1.0199 -2.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8103 1.2365 -3.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8204 1.2163 -4.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5249 0.0492 -5.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4285 -1.2311 -4.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4804 -1.8643 -4.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -2.6810 -2.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9745 -3.8004 -3.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5563 -4.6690 -2.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4392 -3.9233 -1.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9657 -4.8775 -0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8255 -5.4775 0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3377 -6.4385 1.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8038 -1.3826 -3.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2439 -2.9773 -3.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5993 -2.2709 -2.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8923 -0.2675 -1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2997 -1.4056 -1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4094 -1.5388 -0.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2577 -2.6355 1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6176 -2.5310 1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2931 -4.0145 0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2561 -3.3182 -1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1251 -2.0847 -1.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2923 -0.1670 0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1772 -1.5082 1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4151 -1.9215 2.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5011 0.0656 3.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4876 1.4023 1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4021 2.1451 2.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0457 1.8393 2.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0393 0.9450 1.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7245 2.9731 0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8803 3.8793 1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3377 2.5778 0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7373 4.3220 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2514 2.6748 2.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6993 4.3748 2.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2501 3.1074 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2189 3.9343 3.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9109 5.2064 0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8623 6.0491 1.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5786 6.0615 2.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 4.7868 0.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7173 4.2993 3.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8627 5.3988 2.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9185 4.1605 1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9142 5.7551 2.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0923 3.3362 0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9453 2.4971 1.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5717 4.4410 -0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8898 2.6087 -1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9735 2.5381 -1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3017 0.0453 0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7324 -0.6793 -1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8710 1.3556 -1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6478 -0.9030 -1.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1106 1.2134 1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0485 -0.4659 1.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4203 0.0035 2.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 0.2632 3.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3887 -0.4359 1.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8929 1.2650 1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5988 1.7807 0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7598 0.0358 0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 0.0291 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2991 1.8122 -1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 1.9554 -2.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1342 0.2051 -2.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 2.3384 -3.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1292 0.6959 -3.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4227 1.8192 -5.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6220 1.9787 -4.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3873 0.2304 -5.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -1.9445 -5.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6315 -1.3055 -3.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9695 -2.6809 -4.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8101 -2.0742 -2.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3142 -3.1542 -2.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3349 -4.4000 -4.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8487 -3.3814 -4.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6518 -4.9785 -1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9562 -5.6009 -2.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8836 -3.1158 -0.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2755 -3.3887 -2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6770 -4.3964 0.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5014 -5.7350 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -6.1450 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1526 -4.7405 0.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0081 -7.1949 0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4262 -6.9804 1.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7807 -5.8492 2.1884 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 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 22 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 2 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 38 29 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 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 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 0 21 90 1 0 22 91 1 1 23 92 1 0 23 93 1 0 27 94 1 0 29 95 1 6 30 96 1 0 31 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 35101 1 0 36102 1 6 37103 1 0 38104 1 0 39105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 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 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 59136 1 0 59137 1 0 59138 1 0 M END