HMDB0113978 RDKit 3D PE-NMe2(16:1(9Z)/22:2(13Z,16Z)) 139138 0 0 0 0 0 0 0 0999 V2000 5.8041 3.2573 2.5286 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9717 2.6927 3.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4498 1.3069 4.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5745 0.7799 5.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0453 -0.6362 5.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1904 -1.1252 6.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4197 -2.1854 6.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3551 -3.0275 5.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8222 -4.3859 5.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1387 -5.4905 5.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7629 -5.5613 5.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7332 -6.3881 3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3525 -6.5106 3.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0969 -7.2113 1.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5352 -6.6725 0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9594 -6.3980 0.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1641 -5.8710 -1.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6478 -5.6066 -1.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0325 -5.0353 -2.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2555 -3.7344 -2.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5591 -2.7215 -1.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7546 -1.4502 -1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0206 -0.6079 -2.6625 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6914 -1.2169 -0.9387 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8822 -0.1071 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5764 -0.3761 -1.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6542 -0.9164 -2.5755 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8457 -1.3047 -3.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -1.1699 -2.5131 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8578 -1.8577 -4.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5454 -1.5988 -5.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2519 -0.1293 -5.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3313 0.6253 -6.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9332 2.0641 -6.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7777 3.0268 -6.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1891 3.2347 -6.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1078 2.0934 -6.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 1.5726 -5.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7664 2.0493 -4.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1050 2.5154 -3.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0113 2.9690 -2.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 4.1276 -2.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0157 4.5627 -0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3753 4.9799 -0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0105 0.8014 0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1309 1.8799 0.0617 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1772 2.9714 1.3303 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5213 2.5031 2.5654 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8344 3.2485 1.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 4.4618 0.8898 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0707 5.5183 1.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5216 6.8420 1.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9579 6.9047 1.3938 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4281 8.2086 0.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 6.7702 2.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1697 3.7461 1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2760 2.3869 2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5524 3.9872 2.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 2.6917 3.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0586 3.3817 4.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4892 1.2918 4.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2760 0.6237 3.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7711 1.4350 6.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5179 0.7255 4.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0748 -0.4513 5.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1266 -1.2076 4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1965 -0.5310 7.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8386 -2.4412 7.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9593 -2.6253 4.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3044 -2.9863 4.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8448 -4.4763 6.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6364 -6.4374 5.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -4.5760 4.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1176 -6.0907 5.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5165 -6.0198 3.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1356 -7.3940 4.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2245 -7.0873 4.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1489 -5.5002 3.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0331 -7.4075 1.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 -8.2968 2.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2065 -7.4194 -0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1005 -5.7629 0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5702 -7.2862 0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3476 -5.5001 1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8094 -6.6323 -1.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5555 -4.9616 -1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9329 -4.9315 -0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 -6.5693 -0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8504 -5.7193 -3.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1058 -4.7446 -2.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6105 -3.3608 -3.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1991 -3.9950 -2.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6224 -2.3733 -1.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4627 -3.0349 -0.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2579 0.5364 -1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1372 0.5680 -1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0101 -1.1104 -0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9668 -2.9583 -4.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7199 -1.4632 -5.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6016 -2.0581 -6.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2525 -2.0601 -4.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.3377 -4.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6781 -0.0470 -6.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3057 0.4906 -5.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3702 0.2863 -7.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1187 2.1843 -6.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 2.4025 -5.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2534 4.0273 -6.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6973 2.7710 -7.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2645 3.7255 -5.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6274 4.0200 -7.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2321 1.6303 -7.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4543 0.7091 -5.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9341 2.7093 -4.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5335 1.1265 -3.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4957 3.3821 -4.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8192 1.6645 -3.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6543 2.1355 -1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0082 3.2370 -1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4574 4.9961 -2.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0598 3.8962 -2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5708 3.7576 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3746 5.4752 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0670 4.1256 -0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2559 5.4508 0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7662 5.7691 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7246 0.2741 1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0343 1.2173 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9265 3.8485 2.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 5.5966 1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0956 5.4064 2.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 7.6888 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3472 6.9563 0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 8.3708 -0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5273 8.2787 1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9842 9.0314 1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0617 7.6690 3.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4713 6.7150 2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0002 5.8455 3.2606 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 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 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 25 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 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 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 26 96 1 0 26 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 49129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 54134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 55139 1 0 M END