HMDB0114035 RDKit 3D PE-NMe2(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -1.5044 -2.2502 -5.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4085 -3.1377 -6.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7212 -3.4462 -7.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2552 -4.6335 -7.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5734 -5.9010 -7.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4553 -6.5317 -6.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0684 -6.7453 -4.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7448 -6.3889 -4.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0653 -7.6300 -3.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6816 -7.8491 -2.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8713 -6.8978 -1.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5503 -7.6034 -0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -7.4138 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7043 -6.3991 -0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4995 -5.4760 -1.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3819 -4.1870 -1.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4325 -3.4489 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5974 -2.4832 0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4218 -1.2083 0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1555 -0.4909 0.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0008 0.3898 -0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8233 1.2413 -0.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 1.8857 0.2673 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9826 1.3940 -1.8834 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1201 2.2586 -1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 1.5579 -1.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 0.6160 -0.8567 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9119 0.0137 -0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7755 0.3253 -1.7379 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3451 -0.9970 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6983 -0.3100 1.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1818 -1.3505 2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5223 -0.7357 3.7825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3002 -0.1079 4.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7495 0.5067 5.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6182 1.1017 6.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8794 2.1562 5.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 2.7456 6.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0143 3.7301 5.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2556 3.6386 5.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0634 2.4959 6.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 1.7125 4.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4235 0.4949 5.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6225 0.4459 6.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 0.8490 7.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0111 0.6276 8.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0679 3.2967 -2.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1275 4.1678 -2.8622 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 5.3151 -4.0843 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.0070 6.3354 -3.8793 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8214 4.6066 -5.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 6.1432 -4.2051 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6216 5.2361 -4.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9506 5.9418 -4.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 6.7771 -3.2553 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4430 6.0568 -2.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1892 7.8008 -3.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1058 -2.8126 -4.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5182 -1.9425 -5.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8623 -1.3582 -5.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7752 -2.5487 -7.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8372 -4.0469 -6.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3064 -2.5776 -7.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2504 -4.7075 -8.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5342 -5.8118 -7.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5999 -6.5909 -8.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4866 -6.8244 -6.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7989 -7.2283 -4.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0697 -5.9435 -5.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7856 -5.5857 -3.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8578 -8.4498 -4.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -8.7889 -2.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2014 -6.7269 -1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2278 -5.9084 -1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -8.4985 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8906 -8.1745 0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8418 -5.9287 0.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 -6.9884 -0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4928 -5.8811 -2.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 -3.5928 -1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6673 -4.1146 1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4874 -2.9610 0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6095 -2.8681 0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3237 -0.5495 0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3005 0.2430 1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2446 -1.0568 0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0449 -0.3015 -1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9352 0.9916 -0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1023 2.7918 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2524 2.3361 -1.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 1.1254 -2.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2545 -1.5216 -0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5144 -1.7214 0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4611 0.4397 1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7669 0.1020 1.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0975 -1.8525 2.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4198 -2.1374 2.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3437 -0.0094 3.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8488 -1.5583 4.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5468 -0.8726 4.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8891 0.7121 3.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3421 -0.2253 6.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5162 1.2908 5.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0613 1.5938 7.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9378 0.2669 6.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4586 1.7541 4.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6089 2.9397 5.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3179 3.3258 7.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2183 1.9893 7.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5515 4.6132 5.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8091 4.3915 4.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6709 1.8710 6.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9593 3.0348 6.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3511 2.3863 4.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8805 1.4372 4.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 0.0178 4.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 -0.2194 5.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 -0.6284 6.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4624 0.9834 5.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8951 0.2630 8.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3906 1.9225 7.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0752 1.1580 9.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0819 -0.4596 8.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7753 1.0157 7.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8773 3.8395 -2.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 2.7627 -3.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3203 3.7645 -5.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5452 4.5621 -3.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4767 4.6548 -5.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9724 6.5737 -5.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7899 5.2230 -4.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3873 6.7977 -1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 5.6401 -2.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6662 5.2987 -1.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8040 8.8246 -3.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0201 7.6230 -2.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5611 7.7831 -4.5069 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 2 0 16 17 1 0 17 18 1 0 18 19 2 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 2 0 28 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 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 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 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 0 26 90 1 0 26 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 51127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 56132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 M END