HMDB0011157 RDKit 3D PE(O-16:0/18:1(9Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -2.8559 0.1204 -3.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7714 0.3435 -4.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2401 1.7750 -4.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9906 2.6500 -4.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3716 4.1061 -4.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1565 4.9857 -5.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 4.7590 -3.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0162 5.6399 -3.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8343 5.3866 -5.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0695 5.0330 -4.9397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8074 4.8321 -3.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3476 3.4165 -3.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3502 2.3409 -3.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 2.2429 -2.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9725 2.0089 -1.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7665 0.7416 -1.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2751 0.5533 0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0749 -0.6573 0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3079 -0.5727 0.1747 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6554 -1.8894 0.9893 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5991 -2.9373 1.0520 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2403 -4.1463 0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0963 -4.8230 0.6829 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8785 -5.9447 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -5.6470 -1.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2306 -4.9599 -1.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0386 -3.6472 -1.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3522 -3.0988 -1.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6353 -1.7949 -0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5503 -1.9001 0.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 -0.6092 1.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2312 -0.1317 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5959 1.1538 1.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5118 0.9781 3.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8859 2.2199 4.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 2.6687 3.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5404 3.9136 4.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9470 4.4307 4.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1635 5.6701 5.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8732 -3.3100 2.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7067 -3.7296 3.1403 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0904 -4.1350 4.7345 P 0 0 0 0 0 5 0 0 0 0 0 0 3.8835 -3.0050 5.6994 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7359 -4.5910 4.8477 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 -5.5049 5.1365 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -5.1916 5.8625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 -6.5217 6.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -7.1766 4.9046 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0931 -0.8718 -3.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8218 0.1420 -3.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0423 0.8999 -2.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6391 -0.3677 -4.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2573 0.0879 -5.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7325 2.0308 -3.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 1.9042 -5.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4098 2.3711 -5.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3793 2.4160 -3.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1266 4.3096 -5.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9063 4.3180 -3.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 6.0375 -5.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6577 4.7195 -6.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9105 3.7344 -3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8395 5.0595 -2.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4396 6.6836 -4.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4148 5.5343 -2.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3384 5.5228 -6.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6217 4.8666 -5.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3708 5.1631 -2.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7508 5.4660 -3.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1447 3.3419 -2.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9194 3.3034 -4.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8769 1.3572 -3.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 2.4350 -4.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6641 1.4514 -2.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8146 3.2086 -2.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 2.8375 -0.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 1.9284 -0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 0.8552 -1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2867 -0.1518 -1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9065 1.4393 0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3968 0.6261 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5810 -2.5894 0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 -3.8190 -0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1177 -4.8400 0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8356 -6.5234 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1227 -6.6275 0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3527 -5.1583 -2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4311 -6.6569 -2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3547 -5.6236 -1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1473 -4.7369 -2.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1342 -3.7704 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7642 -2.9255 -1.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4212 -2.9821 -2.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0986 -3.8604 -1.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1528 -1.0606 -0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5837 -1.3446 -1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4831 -2.1897 1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3006 -2.6473 1.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1532 0.1585 1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5934 -0.6477 2.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4468 0.0069 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9446 -0.9109 1.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9693 1.9987 1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6545 1.4387 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4733 0.7126 3.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1713 0.1467 3.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7694 1.9985 5.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1919 3.0375 3.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3831 2.9321 2.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0251 1.8861 4.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8493 4.7192 4.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4108 3.6842 5.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6926 3.6938 4.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0904 4.7414 3.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4664 6.4276 5.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9378 5.4635 6.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1821 6.0595 5.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2628 -2.4458 3.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6074 -4.1205 2.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8723 -5.2699 5.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2847 -4.7099 6.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3654 -4.5002 5.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -6.3708 6.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0256 -7.2094 6.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0739 -7.6186 4.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7462 -7.8243 4.5790 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 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 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 1 0 26 27 1 0 27 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 21 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 6 61 1 0 7 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 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 21 82 1 6 22 83 1 0 22 84 1 0 24 85 1 0 24 86 1 0 25 87 1 0 25 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 44120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 M END