HMDB0274531 RDKit 3D PGP(a-17:0/18:1(9Z)-O(12,13)) 135135 0 0 0 0 0 0 0 0999 V2000 -12.5571 -7.0560 -2.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8595 -6.2950 -2.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5680 -4.8837 -2.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9808 -5.0342 -0.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6882 -3.6381 -0.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0965 -3.7978 1.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7872 -2.6705 1.8254 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7472 -3.5585 1.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6544 -2.9495 0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9335 -1.5648 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1614 -0.5691 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9437 -0.6249 1.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7932 -0.0896 0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4755 -0.0606 1.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0493 -1.4215 1.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8242 -1.5327 2.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4982 -1.1400 2.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2094 0.2469 1.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 0.3401 1.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0552 -0.7079 1.4678 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1898 1.5413 1.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2335 1.6263 0.7341 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7556 2.5936 1.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0528 2.9412 1.8189 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9471 3.6054 1.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 4.0750 -0.0139 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3619 3.7619 1.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6249 2.8495 2.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4852 1.3888 2.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4677 1.0107 1.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2974 -0.4354 0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5153 -1.4078 2.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7309 -1.5276 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0692 -1.8317 2.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9034 -0.9934 1.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5854 -0.5646 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3638 -1.6662 -0.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6111 -2.5216 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3375 -3.5751 -2.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1848 -4.4404 -1.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5179 -4.4550 -2.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6891 -3.6726 -2.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 2.1117 -0.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7249 3.3683 -0.8446 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7909 3.9114 -2.4283 P 0 0 0 0 0 5 0 0 0 0 0 0 0.1182 2.8644 -3.3005 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3409 4.1507 -3.0072 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1521 5.3173 -2.5476 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 5.6557 -1.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5294 6.8985 -1.4025 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0346 7.1663 -0.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6738 8.0533 -1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4204 9.2238 -1.9186 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 10.4755 -2.4437 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3170 11.6404 -2.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6123 10.9198 -1.1735 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4832 9.9415 -3.7515 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3440 -7.5787 -1.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5924 -7.8503 -3.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6907 -6.3663 -2.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6190 -6.7431 -2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2525 -6.1951 -3.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8237 -4.4558 -2.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4562 -4.2554 -2.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0718 -5.6537 -0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7307 -5.5145 -0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0448 -3.1291 -0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6599 -3.1053 -0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6261 -4.6445 1.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3414 -4.0799 2.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6847 -3.5567 -0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6539 -3.1348 1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7939 -1.3034 -0.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4274 0.4389 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0827 0.0492 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7080 -1.6008 1.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5928 -0.7774 -0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0168 0.9372 0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7778 0.5528 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7455 0.4785 2.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0884 -2.1511 0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8910 -1.8205 2.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7249 -2.6308 2.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0432 -0.9987 3.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0957 -1.8162 1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7654 -1.3668 2.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 1.0301 2.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6306 0.4821 0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 0.6010 0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4508 2.2082 2.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0518 3.5051 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0413 3.6307 0.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4431 4.8218 1.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6378 3.0625 3.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9003 3.0607 3.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4766 1.1236 2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6812 0.7940 3.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5141 1.1706 1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2060 1.5940 0.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8163 -0.6871 0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1682 -0.5859 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5892 -1.4351 2.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3596 -2.4403 1.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -2.2833 3.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8566 -0.5939 3.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7078 -2.0226 3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0006 -2.9099 1.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0718 -0.0134 2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0027 -1.3734 1.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8802 0.2330 -0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5840 -0.0867 -0.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2249 -1.1711 -1.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4521 -2.2644 -0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4337 -1.8389 -1.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8863 -3.0244 -0.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9820 -3.0691 -3.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2222 -4.1671 -2.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0058 -4.3928 -0.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4050 -5.5103 -1.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7929 -5.0922 -1.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1797 -5.1444 -3.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4394 -3.3664 -3.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9426 -2.8066 -2.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5638 -4.3348 -2.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6012 1.4108 -1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2846 2.1106 -1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8175 3.3350 -3.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0801 5.7804 -0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3189 4.7797 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3877 6.8045 -2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4961 6.6800 0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2046 8.1323 -1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2688 7.7641 -2.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0421 11.1670 -0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1385 10.6111 -4.0749 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 1 0 10 11 2 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 2 0 19 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 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 39 40 1 0 39 41 1 0 41 42 1 0 22 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 8 6 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 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 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 22 89 1 6 23 90 1 0 23 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 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 37113 1 0 38114 1 0 38115 1 0 39116 1 0 40117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 47127 1 0 49128 1 0 49129 1 0 50130 1 6 51131 1 0 52132 1 0 52133 1 0 56134 1 0 57135 1 0 M END