HMDB0114481 RDKit 3D PE-NMe2(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)) 147146 0 0 0 0 0 0 0 0999 V2000 13.7376 7.3518 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3505 6.0689 -0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1992 4.9234 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7750 4.5976 0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9538 4.2130 -0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5163 3.0302 -0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9305 1.8871 -1.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5333 1.6662 -0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6501 1.3362 -1.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9656 0.2200 -1.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9915 -0.8191 -0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4800 -2.1663 -1.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5512 -3.2437 -0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4020 -3.7962 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3496 -4.5439 -0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4398 -3.8932 -1.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5378 -2.8684 -0.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6921 -3.5539 0.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7787 -2.5207 1.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5204 -1.3602 1.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5136 -0.3475 2.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 0.1025 1.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9278 1.0188 0.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 -0.5353 1.0092 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5202 -0.1562 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7099 -1.0986 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2261 -2.5133 0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1665 -3.4864 0.3068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4788 -5.0340 0.2201 P 0 0 0 0 0 5 0 0 0 0 0 0 0.6522 -5.0898 -0.7671 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2026 -5.3635 1.7594 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 -6.2456 -0.1074 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8262 -6.3640 -1.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 -7.4802 -1.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3673 -8.7576 -1.2611 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2521 -9.3002 -1.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2109 -8.8533 0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2642 -0.8023 1.4419 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4809 -0.0833 1.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0274 0.2749 0.5207 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0124 0.2003 2.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8452 1.3650 3.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1454 1.6163 2.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2832 1.7331 1.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0718 0.9963 0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9292 -0.0504 0.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3554 -0.0504 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1416 0.8354 0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6282 2.1093 -0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8813 2.2871 -1.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5335 3.3318 -2.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0831 4.4416 -1.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5907 4.4997 -1.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2565 3.2466 -1.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7339 3.2829 -1.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4248 4.3903 -0.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2261 4.3299 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0140 5.4948 1.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4691 5.2680 1.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2557 8.2464 -0.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7706 7.4696 1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6697 7.4256 -0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4568 6.2303 -0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9813 5.7253 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6908 4.0436 0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7132 5.1614 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7689 3.7704 1.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2481 5.4540 1.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9220 4.1940 0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0603 5.0722 -1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5637 3.1528 -1.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4844 1.0817 -1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1107 2.5035 -0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6275 0.8416 0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5593 2.0527 -2.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3219 0.0564 -2.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9063 -0.9693 -0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4731 -0.5775 0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9200 -2.4773 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 -2.0069 -1.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3827 -2.9683 0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0901 -4.1154 -0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9612 -2.9385 0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8522 -4.4583 1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7567 -5.1291 0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8340 -5.4233 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7532 -4.7111 -1.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8909 -3.4263 -2.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8778 -2.4488 -1.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1666 -2.1196 -0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3305 -3.9787 1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1163 -4.3411 0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1276 -2.9751 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0926 -2.1796 0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1366 -0.7863 1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1589 -1.7192 2.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9504 -0.8473 3.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0176 0.5436 2.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8903 -0.3990 -1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1243 0.8525 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3759 -0.8255 -0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7029 -2.6317 0.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -2.7241 -0.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3409 -6.0185 2.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9036 -6.4703 -2.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3255 -5.4304 -1.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7712 -7.2074 -1.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0126 -7.5270 -2.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3146 -10.4122 -1.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2868 -9.0232 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3064 -9.0562 -3.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8385 -8.0815 0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6367 -9.8396 0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1472 -8.7550 0.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5902 -0.7101 3.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1455 0.2265 3.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0294 1.4770 4.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2063 2.3230 2.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9272 0.9866 3.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4606 2.6597 2.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6982 2.4966 0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0676 1.1805 -0.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5190 -1.0544 0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6466 -0.2899 1.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8912 -0.9694 1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2468 0.6394 0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7399 2.5333 0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4296 2.8521 0.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5293 1.5348 -2.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6906 3.3890 -3.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7273 4.6020 -0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7296 5.3911 -2.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0084 5.3581 -1.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7952 4.7139 -2.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9612 2.9512 -0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8731 2.4114 -1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2241 2.3288 -1.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9994 3.2917 -2.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5235 4.3616 -0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9969 5.3653 -1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1498 4.4035 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6115 3.4082 1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8742 5.5714 2.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6358 6.4154 0.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0729 5.4806 1.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7129 5.8816 0.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5964 4.1687 0.8118 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 26 38 1 0 38 39 1 0 39 40 2 0 39 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 2 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 0 27102 1 0 27103 1 0 31104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 36109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 37114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 59147 1 0 M END