HMDB0298073 RDKit 3D DG(18:3(10,12,15)-OH(9)/0:0/a-21:0) 124123 0 0 0 0 0 0 0 0999 V2000 13.1379 2.5303 4.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3204 2.3211 3.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8448 1.0706 2.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3442 1.0931 1.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8867 -0.1180 0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0385 -0.2462 -0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3189 -1.3137 -0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5017 -1.3919 -1.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7747 -2.4522 -2.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9215 -2.6192 -3.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1846 -3.7642 -3.2224 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1728 -1.3662 -3.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2650 -0.8613 -2.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1226 -1.7686 -2.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2074 -2.0880 -3.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5112 -1.0657 -4.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 -0.1431 -3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6787 0.8338 -2.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8246 0.2973 -1.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5572 0.8897 -0.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1587 -0.8360 -0.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1532 -1.4772 0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 -0.6654 1.4573 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1735 0.5188 1.6395 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0328 -0.4272 1.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4909 0.3188 2.1551 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1256 0.6993 2.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4925 0.3076 1.1206 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4437 1.4886 3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 1.7522 3.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7418 0.5329 2.9803 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1938 0.9093 2.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 1.6658 1.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1349 0.8251 0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3597 1.4950 -0.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7524 1.9424 -1.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7194 0.7771 -1.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1191 1.1893 -1.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7257 2.1895 -0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8545 1.7911 0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7090 0.5674 1.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0998 0.8303 0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9818 -0.3700 0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3647 -0.1088 0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2850 -1.2751 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4542 -1.5962 1.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8124 -2.5145 -0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7260 -2.2819 -1.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0832 3.0455 4.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4111 1.5324 5.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5590 3.1139 5.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4231 3.1604 2.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2647 2.1834 3.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8087 0.1333 3.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3680 2.0491 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9068 0.0822 0.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7653 -1.0127 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0111 0.5631 -1.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3019 -2.1465 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4999 -0.5717 -2.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8217 -3.2540 -1.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6694 -2.7724 -4.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4384 -4.2625 -2.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9251 -0.5505 -3.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5898 -1.4233 -4.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 0.0774 -2.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7932 -0.5420 -1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7304 -1.4622 -1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5913 -2.8098 -1.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7620 -2.7961 -3.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4487 -2.8408 -2.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3298 -0.4412 -4.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0362 -1.6131 -4.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5073 -0.6915 -3.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0782 0.4423 -4.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5804 1.4646 -2.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8406 1.6128 -2.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1865 -1.7747 0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5682 -2.4274 0.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5396 -1.1966 2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 1.2835 1.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 0.0602 0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5261 -1.4118 1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1143 2.4543 3.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2422 0.9487 4.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2426 2.3518 3.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9766 2.3824 2.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4771 -0.2061 2.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6183 0.0026 3.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5834 1.4237 3.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7737 -0.0546 2.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5388 1.9583 1.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9057 2.6245 1.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6731 -0.1593 0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 0.5530 0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9382 0.8384 -1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7093 2.4185 -0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0279 2.7234 -0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7624 2.4071 -2.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6591 0.2039 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3927 0.0963 -2.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0932 1.6142 -2.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7194 0.2577 -1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0939 3.1280 -0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6973 2.5217 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8912 1.6842 1.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3877 2.6340 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8263 0.4483 2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2771 -0.3630 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5423 1.6872 1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0464 1.0616 -0.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0907 -0.5499 1.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5428 -1.2820 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3124 0.0857 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8328 0.7860 0.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2824 -1.0071 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0002 -0.8228 2.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5380 -1.6398 2.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0108 -2.5843 2.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8317 -2.8661 0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5293 -3.3472 -0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9618 -3.2602 -2.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6722 -1.9968 -2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4570 -1.5148 -2.1106 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 45 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 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 46117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 48124 1 0 M END