HMDB0052823 RDKit 3D TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 171170 0 0 0 0 0 0 0 0999 V2000 -5.4759 0.4040 6.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4052 1.5005 6.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0752 2.7966 6.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9225 3.6811 5.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9703 3.4048 4.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6679 3.3775 2.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7360 2.3550 2.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0838 1.0630 2.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1211 0.6556 1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 -0.4434 0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3761 -1.4161 0.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 -2.7281 1.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 -3.8604 0.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7291 -3.9220 -0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1082 -4.2892 -1.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8742 -4.5441 -2.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7868 -4.4946 -1.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0864 -5.7835 -0.9952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1966 -5.9439 -1.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0886 -4.8334 -1.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0903 -4.6798 -0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0454 -3.5862 -0.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7639 -3.1277 0.3225 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2491 -2.9897 -1.8471 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1952 -1.9272 -2.0073 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5909 -0.6947 -2.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6346 -0.0989 -1.7671 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9823 0.4592 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2523 0.4092 -0.3106 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1706 1.0969 0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7308 1.3394 0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5959 2.2804 -0.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0464 2.0548 -2.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7429 0.7864 -2.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 0.2303 -3.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0709 0.1015 -4.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4894 0.4751 -4.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6649 1.5452 -5.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4442 1.4391 -6.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2506 0.2820 -7.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6976 0.3680 -7.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5185 1.3138 -6.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2749 2.6833 -6.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7484 3.7079 -7.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0198 4.6845 -7.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6259 4.9420 -7.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6148 6.3696 -6.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2285 6.6963 -6.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6323 5.7840 -5.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2354 6.2970 -4.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4237 -2.3795 -2.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3355 -1.2765 -2.7936 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8997 -0.8541 -1.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6537 -1.4497 -0.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7912 0.3223 -1.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9999 0.8694 -0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7198 0.0325 0.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7565 0.7796 2.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6028 0.0780 3.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6419 0.8708 4.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3421 0.8592 5.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1641 -0.5049 5.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1722 -1.2915 5.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9244 -1.0129 4.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8446 -2.0169 3.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9434 -2.9490 3.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8357 -3.1233 4.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4965 -3.0811 3.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1937 -1.7801 3.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1051 -0.6786 4.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0006 -1.0053 5.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8919 0.2619 5.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2909 0.7254 7.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0236 -0.5335 6.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6611 1.2425 5.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9593 1.4713 7.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7904 3.0531 7.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4937 4.6129 5.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3629 4.3960 4.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2385 2.6723 4.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1789 4.3162 2.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2785 2.4548 1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7641 0.3159 2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4043 1.2714 3.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2749 1.3170 1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 -0.7003 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 -1.4188 -0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0410 -1.0470 1.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3145 -2.7696 2.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6044 -4.7875 1.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4605 -3.0570 -0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5493 -4.7561 -0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8124 -4.3773 -2.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5872 -4.8240 -3.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0542 -3.7269 -1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9586 -4.0695 -0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6544 -6.6805 -0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6516 -6.9618 -1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6817 -3.8841 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7423 -5.2390 -2.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -5.6423 -0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5171 -4.3831 0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5647 -1.7055 -0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4305 -0.0002 -2.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0643 -0.9283 -3.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 2.1085 0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2862 0.5247 1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1772 0.3948 0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2313 1.8479 1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 3.2850 -0.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0492 2.8705 -2.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 0.0022 -1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8088 0.7946 -2.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8162 -0.0583 -3.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6816 -0.3039 -5.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1733 -0.3727 -4.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7638 0.9970 -3.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0526 2.4550 -5.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4321 2.3265 -7.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9397 -0.6441 -6.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 -0.0605 -8.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1983 -0.5964 -7.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6132 1.0610 -6.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9206 2.8550 -5.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2690 2.7840 -5.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8205 3.6019 -7.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4634 5.4006 -8.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2051 4.3199 -6.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9952 5.0630 -8.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2516 6.2547 -5.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 7.1001 -7.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5194 6.8199 -7.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 7.7157 -5.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4936 4.7580 -5.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2687 5.7348 -4.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8431 6.9942 -5.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3618 6.8845 -4.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 5.4548 -4.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1642 -2.6257 -3.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8849 -3.2476 -2.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4024 1.0908 -2.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7663 0.0044 -2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0302 1.2678 0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6429 1.7998 -0.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7757 -0.1077 0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3031 -0.9635 0.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7186 0.8588 2.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1366 1.7979 2.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2142 -0.9503 3.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6607 -0.0454 2.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4384 0.5262 5.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9025 1.9444 4.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3533 1.5702 6.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5387 1.1706 4.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0151 -0.8964 6.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1905 -2.2964 6.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1189 -1.0340 5.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9365 0.0318 4.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6377 -1.9675 2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0517 -3.6171 2.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 -2.4351 5.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0031 -4.1586 4.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7251 -3.2318 4.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3968 -3.9456 3.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2063 -1.8837 2.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9528 -1.5142 2.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8211 0.2642 3.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0186 -0.4773 4.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 -0.0836 5.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5205 -1.3902 6.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -1.7646 4.7905 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 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 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 25 51 1 0 51 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 2 0 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 1 26104 1 0 26105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 66160 1 0 67161 1 0 67162 1 0 68163 1 0 68164 1 0 69165 1 0 69166 1 0 70167 1 0 70168 1 0 71169 1 0 71170 1 0 71171 1 0 M END