HMDB0298217 RDKit 3D DG(18:1(12Z)-O(9S,10R)/0:0/a-25:0) 138138 0 0 0 0 0 0 0 0999 V2000 17.3879 -1.3998 0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3464 -0.4134 1.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2174 0.6979 0.4584 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2725 1.7907 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8227 1.5116 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4402 0.5345 1.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7975 -0.5880 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3955 -0.9809 0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8647 -1.1693 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5105 -2.2143 1.2142 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3530 -2.3477 -0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -2.6126 -0.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3966 -1.6662 -1.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9804 -2.1024 -2.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3589 -1.2017 -3.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1586 0.2152 -2.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5636 1.0159 -3.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2273 2.4329 -3.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1528 2.5439 -2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9914 2.8369 -2.7968 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2501 2.3775 -1.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 2.4648 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1707 1.4901 -0.0720 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4568 1.6761 -1.2378 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7554 0.0866 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8358 -0.9379 -0.0235 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 -1.2258 0.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6541 -0.4670 1.8251 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 -2.3840 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0285 -2.4752 1.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9544 -3.6939 1.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8864 -3.7615 2.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8508 -2.6664 2.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9078 -2.4482 1.9334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7255 -2.1187 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0523 -0.8410 0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7647 0.3738 0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1639 0.5011 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7788 1.7521 0.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2138 1.8902 0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8168 3.0995 1.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2809 3.1133 0.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0685 4.2210 1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4588 4.2954 0.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3884 3.2099 0.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1668 1.8299 0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0321 1.7285 -1.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8350 0.4155 -1.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6403 -0.4015 -1.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5201 -0.8461 0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6763 -1.6379 -2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4896 -2.5133 -1.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3596 -0.8858 0.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1441 -1.6671 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4451 -2.2861 1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4533 -0.9333 1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8370 -0.0481 2.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9858 0.2826 -0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2448 1.1887 0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6481 2.2402 1.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4737 2.6526 0.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3610 2.5308 1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3596 1.3595 -0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7241 0.7822 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5490 -1.2695 2.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6050 -0.2973 -0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8277 -1.9924 0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3128 -0.2411 0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0615 -3.1614 -0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7829 -3.6617 -0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2210 -2.5269 0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3506 -0.6415 -1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0637 -1.6630 -2.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0493 -3.1143 -2.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4104 -2.0982 -1.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3948 -1.6418 -3.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0118 -1.2362 -3.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5373 0.2520 -1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1265 0.6964 -2.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6492 0.4786 -4.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 1.0886 -4.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1677 2.9273 -2.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9261 2.9781 -4.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8618 2.2530 0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9283 3.5218 0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 1.6362 0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5149 1.4176 -1.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5019 0.0357 0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3736 -0.0089 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6387 -2.2773 -0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -3.3247 0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3947 -2.6463 2.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5791 -1.5540 1.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3601 -3.5870 0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 -4.5655 1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3588 -4.7830 2.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2401 -3.7160 3.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3692 -2.7511 3.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2752 -1.6920 3.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5819 -1.6255 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6511 -3.3346 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7963 -2.0006 0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 -2.9148 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0035 -0.7628 0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1709 -0.7261 -0.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6594 0.4383 1.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2008 1.2588 0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8233 -0.3661 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1989 0.7304 -0.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1400 2.5982 0.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6820 1.6294 2.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3037 2.0205 -0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7775 1.0125 0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3405 4.0298 0.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8024 3.0494 2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6257 2.1130 0.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1177 3.3066 -0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1540 4.0663 2.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5223 5.2066 1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3412 4.4608 -0.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9153 5.3009 0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5371 3.1092 2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4113 3.5224 0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2165 1.3188 0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5383 1.2024 1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2122 2.4313 -1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0108 2.1342 -1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9240 0.5693 -2.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7719 -0.1936 -1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6893 0.1551 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8257 -0.2530 0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0292 -1.8928 0.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5073 -1.0101 0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6527 -1.2850 -3.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6393 -2.1576 -2.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6937 -1.9260 -1.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7776 -3.3906 -1.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0870 -2.8657 -2.9529 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 1 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 11 9 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 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 18 82 1 0 18 83 1 0 22 84 1 0 22 85 1 0 23 86 1 1 24 87 1 0 25 88 1 0 25 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 50131 1 0 50132 1 0 50133 1 0 51134 1 0 51135 1 0 52136 1 0 52137 1 0 52138 1 0 M END