HMDB0116725 RDKit 3D PE-NMe(16:0/20:4(8Z,11Z,14Z,17Z)) 128127 0 0 0 0 0 0 0 0999 V2000 -4.0099 -5.4392 0.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 -4.5328 1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3261 -4.9688 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2633 -4.2083 1.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0708 -2.8458 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4695 -2.7135 -0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7323 -2.3441 -1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3166 -1.9686 -1.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0743 -0.5925 -2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5698 0.3599 -1.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1222 0.2766 -0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7012 0.6099 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8177 -0.2241 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1059 -1.5994 0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3318 -2.5992 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4796 -2.7705 -1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1915 -1.7268 -2.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1949 -1.1798 -2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2556 -2.2100 -2.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5953 -1.5720 -2.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1314 -1.2644 -3.6127 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3074 -1.2850 -1.3704 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5813 -0.6846 -1.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3849 0.7201 -0.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8025 0.6389 0.5436 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5029 1.8102 1.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7469 2.9195 0.6921 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8735 1.8011 2.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3899 1.5858 2.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 1.5537 3.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6174 2.8361 4.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1186 3.9960 3.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1657 5.2501 4.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3098 6.4471 3.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 6.2974 3.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1322 7.5243 2.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5448 7.4206 1.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6834 6.2235 0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7327 6.3521 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 5.1423 -1.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9774 5.1918 -2.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1912 6.3900 -3.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 -1.4688 -0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7195 -2.7488 -1.0364 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8008 -3.6868 -0.1779 P 0 0 0 0 0 5 0 0 0 0 0 0 6.0340 -4.4730 0.8695 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0118 -2.7358 0.5598 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5790 -4.7939 -1.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8508 -5.1117 -0.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 -6.1233 -1.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6643 -5.5639 -2.9354 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3070 -6.5376 -3.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4305 -6.4430 0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0179 -5.4191 1.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 -4.9628 -0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7116 -3.4987 1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6015 -4.7417 2.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5487 -6.0071 1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2850 -4.6170 1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1250 -2.3600 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8282 -2.1564 1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5394 -2.9758 -1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2225 -2.3086 -2.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9451 -2.0930 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7450 -2.6271 -2.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3544 -0.3340 -3.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4242 1.3846 -1.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6649 1.1657 0.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4963 -0.5939 0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3283 1.5882 -0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 0.0894 0.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1699 -1.8082 1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7522 -1.5701 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5413 -3.6017 0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -2.5035 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5546 -3.0959 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9209 -3.7068 -1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9116 -0.8935 -2.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3286 -2.2270 -3.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4967 -0.6166 -1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2434 -0.4415 -3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1137 -2.6782 -3.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -3.0357 -1.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9984 -0.4971 -2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7997 1.3288 -1.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4153 1.1511 -0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1020 2.7374 3.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3024 0.9671 3.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3075 0.5980 1.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0117 2.3368 1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 1.4132 3.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 0.7328 4.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0942 2.7230 5.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6146 3.0335 4.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9323 3.7836 3.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 4.1058 2.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1825 5.4760 4.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4805 5.1697 5.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3098 6.6273 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2552 7.3427 4.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7629 5.4220 2.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4318 6.1354 3.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3964 7.7659 1.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1379 8.3784 3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8672 8.3264 1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2078 7.2487 2.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7166 6.2573 0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5366 5.2869 1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0528 7.2343 -0.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6829 6.4231 -0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6889 4.2191 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9574 5.0538 -1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1188 4.2767 -3.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 5.2007 -2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1495 6.3583 -3.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0614 7.3286 -2.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3932 6.3736 -4.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5492 -0.9661 -0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2976 -1.5046 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6414 -3.3396 1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8489 -5.4742 0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4425 -4.1871 -0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9432 -7.0540 -1.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5331 -6.3412 -1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7587 -5.2704 -3.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6901 -6.7659 -4.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2892 -6.2006 -4.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4893 -7.5075 -3.2397 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 2 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 23 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 0 24 85 1 0 24 86 1 0 28 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 47120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 M END