HMDB0054656 RDKit 3D TG(22:4(7Z,10Z,13Z,16Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 168167 0 0 0 0 0 0 0 0999 V2000 -4.0511 -5.6097 -0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5496 -4.4828 -1.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -3.6220 -0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 -2.3493 -0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9942 -1.5667 -0.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7216 -0.9367 0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8857 0.3355 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3445 1.3663 -0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4945 2.3229 0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2806 2.6532 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3134 2.1806 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6107 1.1348 -1.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7498 1.2426 -3.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6457 2.4499 -4.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 3.7166 -3.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2812 4.5180 -3.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6622 4.2222 -4.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0832 4.0634 -4.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8245 4.1074 -3.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4578 4.3383 -2.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9139 3.1454 -1.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6566 3.4171 0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5413 3.1459 0.6668 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 3.9536 0.9523 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6745 4.3030 2.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4988 3.2375 3.2901 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4640 2.1054 3.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8184 2.3955 3.0374 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6331 1.2490 2.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0661 0.1083 2.9752 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0827 1.2421 2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5269 0.0595 1.8971 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1418 0.1011 0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7242 0.2877 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4522 0.2829 -1.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6827 -1.0204 -2.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6277 -1.6218 -2.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3206 -1.0047 -2.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3576 -1.9390 -1.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2717 -2.3796 -2.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7777 -2.0852 -3.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -3.3291 -4.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3162 -3.5967 -4.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8305 -2.6838 -4.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3772 -2.2073 -5.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5934 -2.3392 -6.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6354 -3.0351 -5.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2122 -4.2045 -6.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8886 -3.9131 -7.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1402 -3.1092 -7.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0975 -1.7176 -7.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1757 2.6643 3.2975 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3755 2.7265 4.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7783 3.3154 5.4339 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0046 2.1036 4.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 1.5631 3.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6542 0.8065 3.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8704 1.4219 3.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0338 1.4845 5.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2111 0.0557 5.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3839 0.0845 7.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1975 0.4221 7.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -0.7704 7.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0335 -0.6615 8.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9797 0.3553 8.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6472 0.0098 7.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4195 -1.3022 7.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4922 -1.2317 8.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7463 -5.4833 0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6456 -6.5708 -0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1535 -5.6908 -0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9411 -4.9618 -2.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3876 -3.9652 -1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6947 -4.0673 -0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0657 -1.8125 0.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7039 -0.8878 -1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7474 -2.2618 -1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1394 -1.6724 0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4545 0.6599 1.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8471 0.8932 -1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2919 1.8997 -0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0387 2.8598 1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 3.4599 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 3.0152 -1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4893 1.6317 -0.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6935 0.0564 -1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9836 0.2704 -3.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9934 2.1967 -4.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6598 2.5879 -4.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9759 4.1533 -2.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1707 5.4704 -3.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4922 5.0761 -5.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3472 3.3473 -5.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 3.8620 -5.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9386 3.9476 -3.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0304 5.2210 -1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 4.4777 -1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0126 3.0870 -1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4757 2.2010 -1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8999 5.1122 2.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6366 4.8733 2.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6223 3.6987 4.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3565 1.4836 4.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1588 1.3850 2.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5807 1.2193 3.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4528 2.1732 2.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6374 0.0001 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1665 -0.8997 2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4539 -0.9125 0.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8057 0.7994 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3255 1.2013 0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1636 -0.6094 0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6492 0.9110 -1.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3814 0.9002 -1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6643 -1.4687 -2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7296 -2.6001 -3.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 -0.8726 -3.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2028 -0.0703 -1.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5951 -2.2516 -0.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6549 -3.0640 -1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6313 -1.6067 -4.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0202 -1.3104 -3.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3286 -4.0190 -4.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0646 -4.4870 -5.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6096 -1.8138 -4.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6075 -3.2495 -4.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6773 -1.6558 -6.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8664 -1.9309 -7.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2066 -3.5062 -4.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4639 -2.3624 -5.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4227 -4.9814 -6.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9581 -4.6859 -5.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1564 -4.8898 -8.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2061 -3.4155 -8.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0050 -3.6928 -7.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4693 -3.0267 -8.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1142 -1.2784 -7.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8231 -1.0484 -7.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5220 -1.6682 -6.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1517 1.4692 5.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6925 3.0210 4.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4335 0.8482 2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4574 2.3790 2.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8479 0.4982 1.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4597 -0.1908 3.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7509 0.8160 3.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 2.4251 3.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 2.0465 5.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 1.9173 5.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1007 -0.4255 5.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3213 -0.5043 5.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2630 0.7369 7.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7315 -0.9421 7.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5232 0.4850 9.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7576 1.3501 7.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8517 -1.6682 8.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9437 -0.9063 6.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -0.3614 9.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3881 -1.6754 8.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5334 1.3492 8.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 0.3689 9.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3357 0.7738 6.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 -0.1851 6.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7607 -2.1771 7.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9492 -1.4083 6.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1037 -1.8030 9.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7947 -0.2215 8.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4189 -1.8069 7.8916 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 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 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 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 26 52 1 0 52 53 1 0 53 54 2 0 53 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 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 25100 1 0 25101 1 0 26102 1 1 27103 1 0 27104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 51139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 59148 1 0 59149 1 0 60150 1 0 60151 1 0 61152 1 0 61153 1 0 62154 1 0 62155 1 0 63156 1 0 63157 1 0 64158 1 0 64159 1 0 65160 1 0 65161 1 0 66162 1 0 66163 1 0 67164 1 0 67165 1 0 68166 1 0 68167 1 0 68168 1 0 M END