HMDB0260762 RDKit 3D PE(14:1(9Z)/18:3(10,12,15)-OH(9)) 114113 0 0 0 0 0 0 0 0999 V2000 10.6958 6.0462 -0.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8460 5.6838 0.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5327 4.3443 0.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9269 3.3108 1.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5726 1.9683 1.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7030 1.0110 0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5611 1.3821 0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7672 0.3561 -0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6032 0.6340 -1.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8264 -0.4442 -1.8529 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6843 -1.2458 -2.6147 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1295 -1.3311 -0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1451 -0.6409 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0267 0.0184 -0.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2793 -0.9971 -1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6529 -2.0825 -0.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9227 -3.0883 -1.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8046 -2.5522 -2.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2495 -1.9726 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3089 -1.4703 -2.0612 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1996 -1.9209 -0.1682 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 -1.3685 0.6487 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7464 -0.2129 1.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7693 0.2745 2.2879 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9361 0.7927 1.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 0.8573 0.5739 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 1.3005 2.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9096 0.1370 3.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5778 -0.5194 1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4845 0.4034 1.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5780 0.9753 1.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4887 1.9473 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3100 1.6199 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6846 1.3031 -1.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8996 2.0358 -2.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7449 3.2108 -2.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1050 4.4884 -2.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9856 5.0136 -1.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8101 4.0807 -1.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 -2.4762 1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1472 -3.5693 0.8617 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 -4.8385 1.8246 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5872 -4.5203 3.2974 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2199 -5.3350 1.4769 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -6.1596 1.4749 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6763 -6.3606 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8145 -7.4958 -0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1486 -8.7680 0.2168 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0470 6.9256 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7255 6.2501 -1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3022 5.1330 -1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8474 5.6282 1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4549 6.4297 1.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5134 4.2053 0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9458 3.4223 1.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7571 1.6387 2.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5687 1.9893 0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0202 -0.0237 0.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2282 2.3953 0.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1100 -0.6713 -0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2674 1.6584 -1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1609 0.0695 -2.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1381 -2.0063 -2.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6618 -2.1577 -1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9012 -1.7937 -0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7041 -1.3597 0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6575 0.1366 0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 0.4864 -0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4931 0.7261 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -1.5104 -2.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5087 -0.4670 -2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4592 -2.6742 -0.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0352 -1.6505 0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4504 -3.8066 -0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6838 -3.6360 -2.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1598 -1.8204 -3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3282 -3.4420 -2.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0389 -1.0283 -0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3914 0.6082 0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0866 -0.5675 2.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5335 2.1044 2.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5455 1.6626 3.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6012 0.4173 3.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2239 -0.6276 3.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1249 -1.3920 2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -0.8648 1.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9332 1.1285 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9552 -0.3323 0.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0930 1.5319 2.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2017 0.1885 2.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1260 2.4640 2.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8354 2.8449 0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2081 2.3049 0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8660 0.6315 0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0194 0.4119 -1.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3930 1.7128 -3.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4932 2.9753 -3.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4488 3.3730 -1.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7572 4.3254 -3.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9011 5.2736 -2.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6240 5.9708 -2.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2774 5.3349 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7953 3.4065 -2.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7850 3.4374 -1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8407 4.6525 -1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 -2.8439 2.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3243 -2.1447 2.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3521 -5.5486 0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7369 -6.6274 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3339 -5.4487 -0.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9504 -7.5761 -1.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2715 -7.2956 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7916 -8.8531 1.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7602 -9.5100 -0.4085 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 2 0 9 10 1 0 10 11 1 0 10 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 2 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 22 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 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 22 78 1 6 23 79 1 0 23 80 1 0 27 81 1 0 27 82 1 0 28 83 1 0 28 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 44108 1 0 46109 1 0 46110 1 0 47111 1 0 47112 1 0 48113 1 0 48114 1 0 M END