HMDB0049547 RDKit 3D TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 175174 0 0 0 0 0 0 0 0999 V2000 2.5196 1.8431 -5.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2472 3.1387 -4.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4427 3.9266 -3.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0895 4.2293 -4.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2297 5.0228 -3.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0699 4.3126 -2.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 4.0847 -1.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5522 4.4660 -2.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4718 3.3120 -2.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6725 3.3364 -2.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2604 4.4469 -1.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7234 3.9733 -0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3711 4.4140 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4579 5.4578 1.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6794 6.2503 0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 6.2803 0.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 5.4861 1.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5716 6.3192 2.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 6.0690 2.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 5.0053 1.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1012 3.9953 2.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2838 3.4621 3.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3272 4.2237 3.7983 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 2.2429 4.0437 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4897 2.0234 5.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5054 0.6669 5.7464 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7999 0.4232 6.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -0.6735 7.3176 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9366 -0.9704 8.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9319 -0.2210 7.8366 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0434 -2.0678 9.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6946 -3.3123 8.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8477 -3.8076 7.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3845 -4.9701 6.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4128 -5.3521 5.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1494 -4.1444 4.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2974 -3.5704 3.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7314 -4.4637 2.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 -3.7435 1.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0626 -4.4560 0.6984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8120 -3.6659 -0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4604 -2.2604 -0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0014 -1.9125 -0.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7993 -0.4308 -0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4019 0.0285 -0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -0.1261 -1.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 0.3892 -1.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0449 -0.3701 4.8803 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2445 -0.8641 4.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9112 -0.2537 5.9599 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9684 -1.8903 4.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2947 -2.7779 3.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3131 -3.8034 2.8451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6576 -4.0098 1.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2004 -3.3664 0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4007 -2.7341 -0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9768 -3.2182 -1.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4945 -4.4196 -1.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2152 -4.2918 -3.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0761 -4.4853 -4.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8705 -4.8652 -3.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3677 -4.1518 -3.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -3.1600 -4.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 -2.4007 -5.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0374 -0.9355 -4.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1135 -0.2348 -4.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4941 -0.7419 -4.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1782 0.0265 -5.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 -0.4357 -6.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5454 -1.8665 -6.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9856 -2.2911 -6.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9643 1.9041 -6.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2297 1.0013 -5.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 1.6672 -4.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3519 3.6974 -5.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2595 2.8897 -4.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3238 3.2845 -2.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0123 4.8242 -3.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 3.2658 -4.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2317 4.8007 -5.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6419 5.3455 -4.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8047 5.9858 -3.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7968 3.9524 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3796 3.5075 -0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9766 5.3654 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3097 4.7575 -3.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0867 2.4389 -3.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3227 2.4525 -2.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2213 4.7303 -2.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6398 5.3187 -1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4889 3.1051 -0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9120 3.8446 1.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0916 6.2269 2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8666 5.0094 2.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1723 6.9562 -0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8053 6.9119 -0.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1077 4.8411 2.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9461 4.7977 0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9563 7.1168 2.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3628 6.7268 2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1903 5.5247 0.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7588 4.5149 0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4517 3.2105 1.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9662 4.5417 2.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5321 2.2644 4.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7405 2.7588 5.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 0.7927 6.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0652 1.3222 7.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6538 0.3303 5.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7377 -1.7040 9.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0927 -2.3016 9.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 -4.0663 9.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7205 -3.0233 8.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6143 -2.9205 6.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8551 -4.0719 7.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3311 -4.7112 6.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5469 -5.8131 7.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4716 -5.6571 5.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7885 -6.1582 4.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5031 -3.3965 5.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4697 -4.5556 3.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 -2.5792 3.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1979 -3.3623 4.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9306 -4.4964 1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -5.4711 3.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8549 -3.9833 2.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7928 -2.6995 2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -5.4801 0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -4.1775 -1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9854 -1.7453 -1.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9054 -1.6994 0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8302 -2.0643 -1.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 -2.5204 0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 -0.2855 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4094 0.2076 -0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4114 1.1324 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8157 -0.5220 0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6957 -1.2160 -1.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1775 0.4951 -2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4157 -0.4756 -1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8801 1.2365 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8551 0.7740 -0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4739 -2.5827 5.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7798 -1.3494 3.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5569 -3.3835 3.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7608 -2.3062 2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7775 -4.4092 3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4579 -4.8335 1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5312 -2.4764 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5893 -3.9759 -0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8048 -1.8300 0.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8748 -2.6632 -1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4015 -5.1754 -1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7272 -4.9775 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0744 -3.9858 -4.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1226 -4.4053 -5.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 -5.1429 -2.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6403 -5.9392 -3.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1953 -4.5493 -2.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8432 -2.7887 -3.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7078 -2.3795 -6.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9693 -2.7278 -5.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9592 -0.4892 -4.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 0.8343 -4.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0483 -0.4003 -3.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6193 -1.8090 -4.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6052 -0.0670 -6.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1841 1.1112 -5.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1264 -0.3869 -5.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0847 0.2138 -6.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 -1.9876 -7.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0842 -2.5638 -5.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3680 -1.6640 -7.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9777 -3.3623 -7.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5696 -2.1163 -6.0643 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 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 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 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 26 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 2 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 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 3 78 1 0 4 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 0 25106 1 0 26107 1 1 27108 1 0 27109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 47142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 66164 1 0 67165 1 0 67166 1 0 68167 1 0 68168 1 0 69169 1 0 69170 1 0 70171 1 0 70172 1 0 71173 1 0 71174 1 0 71175 1 0 M END