HMDB0113131 RDKit 3D PE-NMe(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)) 138137 0 0 0 0 0 0 0 0999 V2000 -1.0272 -3.4268 1.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8989 -3.1772 2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5664 -4.5006 3.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 -4.5164 4.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7286 -3.7336 5.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 -2.3127 5.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7655 -1.6399 4.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9959 -2.0783 4.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4232 -3.4440 4.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6201 -4.0584 2.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4404 -3.4476 1.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7912 -3.5575 0.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9954 -4.1906 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9485 -4.8823 -0.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9618 -4.3459 -2.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -3.7589 -2.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -3.4604 -2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4084 -1.9597 -2.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0202 -1.5332 -2.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 -0.0237 -2.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3249 0.6054 -1.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9992 0.3375 -0.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4983 -0.4217 0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2068 0.9117 -0.4131 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0066 0.7969 0.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 2.1015 1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6329 2.2181 1.9956 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2072 3.3003 2.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0414 4.2023 3.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7903 3.3279 3.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5439 4.6452 3.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7872 4.8048 4.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0205 4.6947 3.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 5.5757 2.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4764 5.5365 1.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0159 6.4844 0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1566 6.4251 -0.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1236 5.0078 -1.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3618 4.8786 -2.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9047 4.4487 -3.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 4.0588 -3.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4924 2.6080 -4.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9077 2.2456 -5.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5067 3.0176 -6.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8044 2.5136 -8.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3217 2.7870 -7.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4297 0.3943 0.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5462 -0.8448 -0.1654 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1510 -1.2719 -0.4234 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.0494 -0.3521 0.3907 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5171 -1.2168 -2.0691 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4808 -2.8671 0.1015 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0080 -3.6939 -0.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2323 -5.1711 -0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5167 -5.4572 0.6344 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0818 -5.3641 0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1539 -3.0159 0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1641 -4.5026 1.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9823 -2.9466 1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9032 -2.8816 3.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2402 -2.3484 3.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3707 -5.2048 3.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3656 -4.9325 3.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2464 -5.6122 5.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3753 -4.2823 5.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 -4.3380 5.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6052 -3.8420 6.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -1.7454 5.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5836 -0.4920 4.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2365 -1.5375 3.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8293 -1.5744 4.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6832 -4.0651 4.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9454 -5.1098 2.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2147 -2.3761 1.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6343 -3.9414 1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5881 -3.0396 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0424 -4.2210 -0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2577 -5.9723 -1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9489 -4.8854 -0.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9324 -4.4858 -2.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -3.4205 -4.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5672 -3.7576 -1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8394 -3.9454 -3.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1713 -1.4478 -1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6106 -1.6334 -3.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7173 -1.9160 -2.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3075 -1.8547 -1.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8034 0.4137 -1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3011 0.2265 -3.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.3522 -2.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2245 1.7211 -2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5163 0.0517 1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2029 2.9695 0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6663 1.9917 2.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5614 2.5241 3.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1571 3.3143 2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9658 5.4611 3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2682 4.5972 4.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8361 4.1165 5.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 5.8313 5.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2128 3.6233 3.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8936 4.8090 4.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4091 5.3202 2.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4706 6.6463 2.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4499 5.8353 1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4791 4.4870 1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0433 6.1564 0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1091 7.4985 0.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 6.7735 -0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 7.0837 -1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1271 4.6243 -1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5315 4.3774 -0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7104 5.1632 -2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2618 4.3822 -4.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9712 4.2597 -3.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7304 4.6363 -4.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0784 1.9172 -3.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5855 2.4365 -4.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0873 1.1604 -5.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8018 2.3743 -5.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3009 4.0948 -6.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 2.8075 -6.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9912 1.4043 -8.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2682 2.9861 -8.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0394 3.1712 -8.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0995 3.5589 -7.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1759 1.8424 -7.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0191 1.1640 -0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9310 0.2623 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7454 -1.5771 -2.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6133 -3.4650 -1.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9256 -3.5597 -1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8320 -5.7445 -1.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3072 -5.3805 -0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7429 -6.4374 0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7516 -4.2833 0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8304 -5.7569 -0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4874 -5.8994 1.1456 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 2 0 13 14 1 0 14 15 1 0 15 16 2 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 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 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 0 26 93 1 0 26 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 51130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 M END