HMDB0052786 RDKit 3D TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)) 161160 0 0 0 0 0 0 0 0999 V2000 7.5753 -2.7026 -1.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 -2.1049 -1.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8942 -1.4654 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6361 -0.2084 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5802 0.8376 -0.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8613 0.6138 -2.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9915 0.8467 -3.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 1.3730 -3.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5028 2.7061 -3.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7127 3.0577 -4.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7093 2.1413 -5.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0893 1.9454 -6.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2639 0.7701 -7.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0932 -0.5273 -6.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0526 -1.3091 -7.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -2.4818 -7.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5905 -3.2393 -7.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3337 -4.6206 -7.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -4.6822 -5.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3407 -4.0713 -4.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5327 -3.6973 -4.7242 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6112 -3.9349 -3.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1947 -3.3836 -2.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6846 -1.9680 -2.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2845 -1.9322 -2.0366 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4542 -0.8045 -1.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1534 0.2527 -1.5391 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9345 -0.9274 -1.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 0.2695 -1.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4346 0.5906 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9615 -0.5379 1.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -0.1582 2.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -1.1654 3.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7375 -1.3500 3.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2119 -2.3139 4.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8381 -3.4510 4.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1436 -3.9002 2.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5125 -5.2238 2.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2271 -6.2646 2.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6783 -6.3005 2.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8902 -6.7542 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2005 -5.7138 -0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3573 -6.0771 -1.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6502 -5.0121 -2.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0573 -4.2942 -1.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -3.8864 0.0695 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2912 -2.9092 0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 -2.1788 0.7288 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0637 -2.6268 2.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -1.2507 2.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 -0.8148 3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5241 0.6705 3.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3957 1.0363 4.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5753 2.4681 4.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4693 3.3833 5.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4507 3.5935 4.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3448 4.7858 3.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1955 5.9693 3.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 6.3376 2.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8828 7.4725 2.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 8.6101 2.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0492 8.9524 1.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9012 10.0608 1.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 11.4244 1.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5044 11.6024 3.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3138 -2.1186 -0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6392 -3.7472 -1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8370 -2.7271 -2.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5393 -3.0979 -1.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 -1.7060 -2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9032 -2.1376 0.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4303 0.0649 1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2643 1.7340 -0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5758 1.3608 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8747 0.2475 -2.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3247 0.6383 -4.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9694 0.6468 -3.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2002 1.2946 -2.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1994 3.5107 -3.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7343 4.0902 -5.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4484 1.2740 -4.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.7314 -5.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2234 2.8614 -7.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5635 0.6883 -8.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7357 -0.4287 -5.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0199 -1.0719 -6.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0568 -0.8488 -7.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5269 -2.9864 -8.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 -3.4052 -8.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4383 -2.7520 -7.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3482 -5.1198 -7.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7682 -5.1866 -7.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5271 -5.7703 -5.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 -4.2383 -5.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2908 -3.2478 -2.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9039 -1.4854 -3.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2541 -1.3685 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2152 -1.0454 -2.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2916 -1.8355 -1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7497 0.0528 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4632 1.1672 -1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 1.4868 0.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3919 0.8101 0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5584 -1.5087 0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0614 -0.5822 0.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6522 0.0054 2.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 0.8329 2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6578 -2.0849 3.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0736 -0.7055 4.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1589 -0.3294 3.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9644 -1.5049 2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0252 -2.0604 5.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1213 -4.0554 5.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7564 -3.1658 2.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2261 -3.9566 2.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4371 -5.3533 2.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7080 -7.2278 2.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0469 -7.1704 2.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2579 -5.4126 2.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3650 -7.7206 0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9451 -6.8653 0.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6440 -4.7016 -0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1273 -5.6535 -0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4327 -6.0692 -2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9070 -7.0709 -1.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6294 -5.3601 -2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2456 -4.8485 -3.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5055 -4.0794 -2.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5455 -5.2686 -1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9669 -4.6288 -0.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1176 -2.9486 2.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6141 -3.3299 2.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2206 -0.5484 1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -1.0634 3.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2423 -1.3320 4.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7126 -1.0319 2.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6444 1.2751 2.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4454 0.7973 3.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4192 0.5505 4.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 0.5473 5.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 2.9084 4.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 2.5213 5.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 2.8442 6.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7914 4.3032 5.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2819 2.8326 3.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4233 4.9311 2.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5319 6.7825 4.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9465 5.8234 4.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6145 5.5128 2.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4725 7.6705 1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5144 8.5010 3.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7398 9.4986 2.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6054 9.2329 0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4934 8.0024 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5387 9.7571 2.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5692 10.1448 0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1691 12.1985 1.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 11.6879 1.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5946 11.7788 2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 12.5897 3.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3412 10.8392 3.9688 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 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 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 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 24 96 1 0 24 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 60150 1 0 61151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 65161 1 0 M END