HMDB0294611 RDKit 3D DG(12:0/0:0/20:3(5Z,8Z,14Z)-O(11S,12R)) 101101 0 0 0 0 0 0 0 0999 V2000 -11.0261 -3.0238 2.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6934 -3.5623 1.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1869 -2.7468 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5744 -1.3204 0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0980 -0.4669 -1.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6389 -0.5710 -1.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8377 0.4538 -1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2920 1.8255 -0.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6880 2.3257 0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0513 1.5947 1.6421 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6551 1.4526 1.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6188 2.0088 1.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5675 2.9119 1.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1720 3.3320 0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5963 3.0695 -0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6978 2.4694 -1.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5071 2.0404 -1.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 2.0071 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 0.5606 -0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5192 -0.1117 -1.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2727 0.5745 -1.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3271 0.2206 -2.7748 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2605 1.5603 -0.9302 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4132 2.2726 -1.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6447 1.4369 -1.1410 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7243 0.4176 -2.0305 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9994 1.0484 0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 0.6074 0.3444 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 -0.5077 -0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1128 -1.2955 -0.8776 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2589 -0.8193 -0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5024 -1.6732 1.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8761 -2.0861 1.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6672 -2.9347 0.5809 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9602 -2.5726 -0.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6215 -1.2885 -1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0112 -1.2132 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6444 0.0944 -0.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9818 0.3562 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1446 0.3391 1.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9145 -0.9791 1.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0057 -2.6723 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6074 -2.1514 2.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9995 -3.7855 3.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3687 -4.6117 0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7877 -3.4436 1.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6003 -3.0794 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0578 -2.7848 -0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0025 -0.9356 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6590 -1.1943 0.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5046 0.5280 -0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5783 -0.9543 -1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1446 -1.5517 -1.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7402 0.2749 -1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8520 2.4705 -1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3599 2.0101 -0.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5450 3.4030 0.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6093 0.3666 0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1804 1.1504 2.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1839 2.5627 2.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 3.3603 2.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3399 4.1191 0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5924 2.5417 -0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8717 4.0900 -1.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1442 2.3719 -2.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0151 1.6159 -2.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9933 2.4148 0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7358 2.6229 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1684 0.0181 0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5939 0.5305 0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3218 -1.1910 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2012 -0.2139 -2.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3428 2.7462 -2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5078 3.1350 -0.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5228 2.1393 -1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0431 0.7322 -2.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8588 1.9812 0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3081 0.2966 0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7588 0.1990 0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6551 -1.1449 -1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7785 -2.5446 1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1188 -1.0950 2.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4734 -1.1886 1.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7665 -2.6621 2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6906 -3.1050 1.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2460 -3.9927 0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7219 -3.3510 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0939 -2.7894 -1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0703 -0.3789 -0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8627 -1.2300 -2.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6419 -2.0347 -0.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7798 -1.3362 0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9508 0.8744 -0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5285 0.3732 -1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6840 -0.4203 -0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3293 1.3641 -0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1773 0.7053 1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4432 1.0755 1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -1.0605 2.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7952 -1.1753 2.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9539 -1.8020 1.2403 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 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 11 9 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 13 61 1 0 14 62 1 0 15 63 1 0 15 64 1 0 16 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 19 69 1 0 19 70 1 0 20 71 1 0 20 72 1 0 24 73 1 0 24 74 1 0 25 75 1 6 26 76 1 0 27 77 1 0 27 78 1 0 31 79 1 0 31 80 1 0 32 81 1 0 32 82 1 0 33 83 1 0 33 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 36 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 41101 1 0 M END