HMDB0300357 RDKit 3D DG(18:3(10,12,15)-OH(9)/0:0/i-21:0) 124123 0 0 0 0 0 0 0 0999 V2000 19.0659 1.9327 0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7046 2.3288 1.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6403 1.5834 0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9245 0.7113 -0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8173 0.0150 -1.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5134 0.4630 -0.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6393 -0.3395 -0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3714 0.1831 0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4734 -0.5696 0.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1702 -0.0328 1.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4899 1.0537 2.3078 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4455 0.5177 0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2615 -0.6094 -0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4666 -1.7515 -0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0389 -1.6349 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0688 -1.2811 -0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0457 0.0191 -1.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7186 1.2366 -0.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3330 1.2057 -0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9584 0.1833 0.3377 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5666 2.2960 -0.3707 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2894 2.5402 0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2337 1.8117 -0.7388 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2858 2.0960 -2.1301 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1844 0.3498 -0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 -0.1912 -1.0811 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 0.1687 -0.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4656 1.0081 0.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4608 -0.4533 -1.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7373 0.2049 -0.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9326 -0.3830 -1.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0624 -1.8376 -1.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2341 -2.0764 0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4801 -1.3957 0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7306 -1.5890 2.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0039 -0.8633 2.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2135 -1.3939 1.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4546 -2.8289 2.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5216 -3.5222 1.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9074 -3.0734 1.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2986 -1.7183 0.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9973 -1.4861 -0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3916 -0.1037 -0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6403 0.9622 -0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9076 2.3598 -0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2707 2.9061 -0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3254 2.2356 -1.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7483 3.0579 0.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8403 2.4632 1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2721 0.8630 0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2025 2.2107 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5896 3.4360 0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6097 2.0831 2.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6244 1.7999 0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9660 0.5134 -0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8739 0.0874 -2.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9395 -1.0765 -1.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2190 1.5215 -0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8917 -1.3865 -0.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1616 1.2332 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6751 -1.6177 1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6121 -0.7705 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5539 0.7763 3.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5562 1.0379 0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1630 1.2385 -0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0633 -0.2717 -1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3395 -1.0281 -0.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6658 -2.6259 -0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9744 -2.1314 0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9400 -0.9952 1.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7204 -2.6644 0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2686 -2.0473 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0103 -1.5630 -0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9207 0.2791 -2.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2117 -0.0607 -2.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8202 2.1186 -1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4068 1.4596 -0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0575 3.6679 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1564 2.3216 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2508 2.3101 -0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1877 2.4365 -2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9996 -0.1199 -1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2729 0.0442 0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3549 -0.4583 -2.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4749 -1.4959 -0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6415 1.2860 -1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8034 0.2321 0.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7681 -0.2981 -2.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8234 0.2076 -1.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9511 -2.2801 -1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 -2.3604 -1.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3223 -1.7804 0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3670 -3.1650 0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3334 -1.7763 0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4616 -0.2874 0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7123 -2.6437 2.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9227 -1.1020 2.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8843 0.1896 2.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2116 -0.9373 3.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0580 -0.7949 2.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1778 -1.1279 0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4886 -3.3729 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6021 -3.0204 3.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4922 -4.6090 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1755 -3.5487 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6145 -3.8301 0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2429 -3.1140 2.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1036 -0.8744 1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4777 -1.7684 1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9394 -1.7251 -0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6803 -2.1830 -1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1981 0.0467 -2.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4920 -0.0476 -0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6228 0.8360 0.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5438 0.7769 -0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2111 3.0111 0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5109 2.4755 -1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2134 3.9764 -0.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9336 1.6821 -2.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9934 3.0263 -1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0744 1.6575 -0.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6021 2.1298 1.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2379 3.9421 1.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8287 3.2869 0.9024 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 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 46 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 0 22 79 1 0 23 80 1 1 24 81 1 0 25 82 1 0 25 83 1 0 29 84 1 0 29 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 47119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 48124 1 0 M END