HMDB0300301 RDKit 3D DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/0:0/i-21:0) 126125 0 0 0 0 0 0 0 0999 V2000 20.0490 -0.5419 -3.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7841 0.0319 -2.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4811 0.7840 -2.0732 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2877 1.3017 -0.7766 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3088 -0.0563 -2.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1620 0.0659 -1.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0396 -0.7678 -2.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8806 -0.7305 -1.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7007 0.2516 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4348 -0.4809 0.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3850 -0.3529 1.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2264 0.4848 1.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0086 1.4635 0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0196 1.4195 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9760 0.3841 -0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6663 1.0402 -0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8063 0.7698 0.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0355 -0.2376 1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0605 -1.3509 1.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7368 -1.0249 2.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9084 -0.0965 1.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8037 1.0886 2.1154 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2558 -0.4236 0.5171 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4121 0.3768 -0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0441 0.4752 0.3918 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5032 -0.8575 0.4241 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 0.9898 1.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4085 0.9718 2.2024 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 1.5804 1.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4037 2.2794 0.6629 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8312 1.3984 2.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4889 0.1686 1.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7688 -0.0500 2.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4880 -1.2518 2.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0215 -1.2308 0.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0833 -0.1460 0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2220 -0.3725 1.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8876 -1.7070 1.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9709 -1.9034 2.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1831 -1.0969 2.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1535 -1.2291 1.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9016 -0.8605 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6117 0.5913 -0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4093 0.7604 -1.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6578 0.3267 -2.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8742 1.0967 -2.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0545 0.5679 -3.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2750 1.3320 -2.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1757 2.8159 -2.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4873 0.7327 -3.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7411 0.2467 -4.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1431 -0.6847 -3.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5693 -1.4926 -3.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5933 0.7727 -1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8731 -0.7387 -1.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5269 1.6250 -2.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1635 1.2379 -0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3918 -0.7714 -3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1759 0.7864 -0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1330 -1.4910 -2.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0411 -1.3557 -1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9446 0.9892 -0.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6275 0.8262 -0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2150 -1.2194 1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4170 -1.0482 2.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2682 -0.1147 1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2165 1.1300 2.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6826 2.3475 0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9448 2.2193 -1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9838 -0.0553 -1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1065 -0.4838 0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3744 1.8246 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8939 1.3655 0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0659 -0.6846 1.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0261 0.3140 2.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0316 -1.9814 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5257 -2.1168 2.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7713 -0.6520 3.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1237 -1.9931 2.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2591 -0.1429 -1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 1.3938 -0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3321 1.0241 -0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1681 -0.9159 1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 0.3242 2.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3477 2.0315 1.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6309 1.2668 3.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4854 2.2743 2.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8873 -0.7326 1.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7558 0.3476 0.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4954 -0.2061 3.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3683 0.8853 2.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2462 -1.5389 2.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7474 -2.1079 2.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1958 -0.9652 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3694 -2.2247 0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6037 0.8164 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4147 -0.1639 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8548 -0.3044 2.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9449 0.4271 1.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2403 -1.8994 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1393 -2.5433 1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2286 -3.0392 2.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4837 -1.7973 3.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7293 -1.3158 3.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8401 -0.0035 2.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1583 -0.7521 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5216 -2.3327 1.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1802 -1.4781 -0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8900 -1.1295 -0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4484 1.2522 -0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7085 0.9672 0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5895 0.0797 -2.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1148 1.7853 -2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4566 0.5895 -3.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8072 -0.7656 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7008 2.1682 -2.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1495 0.9997 -1.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8753 0.5489 -4.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2158 -0.4992 -2.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3500 1.2171 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1460 3.2589 -2.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1082 3.0631 -3.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3980 3.2876 -2.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2570 -0.3502 -3.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5743 1.1891 -4.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4086 0.8727 -2.6942 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 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 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 48 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 6 4 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 9 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 24 80 1 0 24 81 1 0 25 82 1 6 26 83 1 0 27 84 1 0 27 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 49121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 M END