HMDB0113114 RDKit 3D PE-NMe(18:1(11Z)/16:1(9Z)) 126125 0 0 0 0 0 0 0 0999 V2000 15.5606 0.8725 1.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6132 1.7331 0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0620 0.8640 -0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1033 1.6061 -1.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9527 2.1038 -0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9429 2.8675 -1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8740 3.2993 -0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6216 2.9519 -0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1723 2.0703 -1.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5399 0.7911 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0967 -0.1006 -2.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1024 0.5549 -3.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8178 0.9687 -2.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9092 1.6308 -3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6053 2.0949 -2.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7796 0.9575 -2.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4797 1.5489 -1.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4306 0.4848 -1.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5939 0.8179 -1.0234 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0878 -0.8206 -1.2702 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8068 -1.8986 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1074 -1.8214 0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8324 -3.1004 1.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9593 -3.0697 2.5392 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7579 -4.4162 3.1217 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9422 -4.7910 2.2241 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4297 -4.0244 4.6386 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7171 -5.7141 3.2352 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -5.7492 4.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0768 -6.9713 4.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9437 -8.1416 4.2799 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6444 -8.2551 3.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -0.7008 1.0486 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3919 0.1423 2.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2756 -0.1687 2.5768 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0532 1.3362 2.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 1.4960 1.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2730 0.3239 2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6895 0.5407 1.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4723 -0.6466 2.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8872 -0.7012 1.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3374 -0.6372 0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1093 0.6054 -0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1010 1.3696 -0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5079 1.0188 -0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1233 0.8377 -2.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0436 2.0723 -2.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7378 3.2710 -2.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2273 3.0117 -2.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8232 4.2765 -1.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7604 -0.1060 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5433 1.3607 1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1497 0.6755 2.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8474 2.1026 1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2363 2.5710 0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5420 0.0049 0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9012 0.4032 -1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7795 1.0153 -2.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6613 2.5278 -1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2552 2.7914 0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4007 1.2586 -0.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4512 3.8283 -1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6829 2.3093 -2.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1850 3.9649 0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8540 3.3261 0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2842 2.6234 -2.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8576 1.8780 -2.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6635 1.0102 -0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2491 0.2021 -0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7140 -1.0374 -1.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9898 -0.3309 -2.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5372 1.4222 -3.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8152 -0.1794 -3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2891 0.0858 -2.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0620 1.6289 -1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7903 1.0220 -4.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4737 2.5469 -3.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0615 2.5911 -3.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7786 2.8884 -2.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5811 0.2229 -3.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 0.4539 -1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0232 2.0644 -2.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7557 2.2637 -1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3086 -2.8739 -1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7955 -1.9092 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1405 -1.8463 1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8616 -3.1444 0.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2887 -3.9985 0.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 -4.0648 5.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5716 -5.7697 5.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2839 -4.8594 4.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -7.0385 5.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5686 -6.9316 3.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5957 -8.1627 5.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6972 -9.3361 2.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 -7.7304 2.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6783 -7.8362 3.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4317 2.2592 2.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1572 1.2596 3.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3969 1.5530 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9193 2.4330 2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4542 0.2291 3.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9618 -0.6447 1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0699 1.5208 1.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4473 0.4484 0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9008 -1.5465 1.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3888 -0.7087 3.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3397 -1.6618 2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4790 0.0876 2.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6974 -1.4178 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3861 -1.0282 0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1263 0.9750 -0.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8315 2.2702 -1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0289 1.9298 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7751 0.2093 -0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1964 0.5502 -2.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6360 0.0103 -2.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4720 1.8769 -3.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9646 2.3511 -3.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3178 3.5710 -1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7077 4.1173 -3.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7161 2.8083 -3.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3461 2.1412 -1.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2685 4.9092 -2.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0629 4.8007 -0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6812 4.0169 -0.9207 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 1 0 7 8 2 0 8 9 1 0 9 10 1 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 31 32 1 0 22 33 1 0 33 34 1 0 34 35 2 0 34 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 43 44 2 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 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 23 87 1 0 23 88 1 0 27 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 32 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 M END