HMDB0045533 RDKit 3D TG(20:0/16:0/16:1(9Z)) 165164 0 0 0 0 0 0 0 0999 V2000 2.9690 5.7890 -4.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8968 4.8285 -3.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 5.5294 -1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 4.4488 -0.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0151 5.0358 0.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9259 3.9384 1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0195 2.9894 1.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9837 2.7058 2.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1261 3.3316 3.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1614 2.3928 4.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0103 1.5131 5.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7385 2.2277 5.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 1.2893 5.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2273 0.3183 4.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7365 0.9308 3.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3775 -0.1017 2.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1721 0.2149 1.3577 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6153 -1.4486 2.6117 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3001 -2.4425 1.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -2.2573 0.3393 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3871 -3.3553 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -3.0739 -0.4871 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9626 -3.8501 -1.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4088 -4.8303 -1.7841 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4166 -3.6733 -1.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1671 -4.1728 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6328 -4.0207 -0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1410 -2.6700 -0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0207 -1.6479 0.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6551 -0.3495 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6856 0.7531 0.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3376 1.1889 1.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4487 1.6790 0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0605 2.8046 -0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2160 3.4231 -1.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1606 4.3758 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1069 4.2524 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 4.4755 1.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3736 4.3127 2.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9039 4.5984 3.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 4.4922 4.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4022 4.7894 6.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 6.1884 6.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 -2.2094 0.4488 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0644 -1.1378 -0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2957 -0.2878 -0.6734 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5023 -0.8551 -0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2760 -0.9051 -1.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6393 -2.1257 -1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7804 -3.1922 -2.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6532 -2.8276 -3.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0027 -4.1307 -3.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7981 -3.8324 -4.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2338 -5.1164 -5.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9935 -6.1935 -4.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4422 -7.3940 -4.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2189 -8.5966 -4.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7268 -8.4065 -2.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1052 -8.0121 -3.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0378 -7.8922 -2.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4247 -7.4893 -2.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 5.7095 -4.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 6.8286 -3.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2334 5.4726 -5.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9093 4.3224 -3.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7527 4.1305 -3.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9941 5.9838 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2156 6.2980 -1.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9119 3.9923 -0.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7215 3.7248 -0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 5.5438 0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2347 5.7887 0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7846 4.3677 2.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9741 3.3803 1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0555 2.4224 0.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7566 1.9679 2.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0946 3.9440 3.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3475 4.0982 3.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0662 1.7258 4.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4133 2.9341 5.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2767 0.8974 6.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9213 0.7996 4.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9089 2.8473 6.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4191 2.9218 4.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7494 1.8993 6.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8922 0.6990 6.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0995 -0.3452 4.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4815 -0.3780 5.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3622 1.7385 3.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2581 1.4000 3.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8019 -2.5917 1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6777 -3.4081 2.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6261 -1.3143 -0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7456 -3.3382 -1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4598 -4.3603 -0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6587 -2.5651 -1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8134 -4.1197 -2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9425 -3.5726 0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9638 -5.2452 0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7985 -4.6281 -1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 -4.5074 0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6827 -2.2220 -1.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2331 -2.7570 -0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0023 -1.4835 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6361 -1.9792 1.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7190 -0.5754 -0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1539 -0.0636 -0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3416 0.5045 1.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2029 1.6740 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4141 1.9559 2.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7816 0.3444 1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4427 1.8620 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4279 0.8025 -0.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0115 2.4062 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4102 3.6256 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9214 3.8340 -2.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7661 2.5247 -2.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6443 4.6604 -2.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6616 5.4130 -1.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3177 5.0388 -0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5262 3.2962 -0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7613 5.6131 1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3986 3.9370 1.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5709 5.0130 1.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0185 3.2780 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7156 3.8979 3.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3414 5.6182 3.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 3.5201 4.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0665 5.2782 4.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2069 4.0412 6.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5813 4.6568 6.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4892 6.7070 7.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0677 6.1858 6.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7229 6.7606 5.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9361 -1.6165 0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6943 0.1153 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2561 -0.3473 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7803 -0.1543 -1.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5741 -2.5496 -1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2036 -1.7565 -2.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3797 -3.7909 -1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4152 -3.9270 -2.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0323 -2.2673 -4.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -2.2729 -2.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7293 -4.6755 -4.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7165 -4.7582 -2.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0561 -3.3120 -3.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0259 -3.1624 -5.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2713 -4.8307 -5.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9661 -5.4617 -5.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -6.5089 -3.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4511 -5.8929 -3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5027 -7.1691 -5.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 -7.6661 -5.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2295 -9.3772 -4.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1797 -9.0835 -3.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8669 -9.3498 -2.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 -7.5959 -2.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4926 -8.8213 -4.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0429 -7.0478 -3.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5702 -7.2375 -1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1238 -8.8899 -1.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1476 -7.8678 -1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6971 -7.8317 -3.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 -6.3646 -2.5282 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 1 0 7 8 2 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 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 20 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 19 91 1 0 19 92 1 0 20 93 1 6 21 94 1 0 21 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 43134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 61165 1 0 M END