HMDB0042525 RDKit 3D TG(14:0/18:2(9Z,12Z)/24:1(15Z)) 173172 0 0 0 0 0 0 0 0999 V2000 3.6076 -6.9458 -5.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 -7.1815 -4.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -5.8925 -3.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5537 -4.9584 -4.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2145 -3.6574 -3.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3489 -3.8122 -2.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7034 -3.4650 -1.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0131 -2.8894 -1.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 -1.5175 -0.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3492 -1.1179 0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9371 -1.9927 1.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0495 -1.9251 2.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0086 -0.5129 3.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1136 -0.4732 4.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 0.9500 4.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4824 1.8840 3.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9103 1.5311 3.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3205 2.4350 2.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4584 3.2146 1.8333 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6098 2.5054 1.7697 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8351 3.3988 0.7029 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3914 2.8449 -0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7377 2.3779 -0.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2213 1.9590 -1.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3732 2.0156 -2.6916 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6104 1.4718 -2.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6120 1.1476 -3.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8023 -0.0549 -3.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5201 -1.3525 -3.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5768 -2.5103 -3.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5141 -2.5704 -2.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3075 -2.9593 -1.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4995 -3.0888 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4146 -3.6273 0.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8611 -3.7973 2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5156 -2.6705 3.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5559 -1.6270 2.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4358 -0.6823 3.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6406 4.6233 1.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8523 5.2895 2.1642 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3649 6.4758 2.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4892 6.8363 2.1105 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8159 7.3869 3.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6049 8.1570 3.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4189 7.2258 3.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7911 8.0400 2.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5829 8.5883 1.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5332 7.4539 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8545 6.7744 0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9579 5.6063 -0.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3812 5.1100 -0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 3.9410 -1.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0759 3.5616 -1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4141 2.4126 -2.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8115 1.0778 -2.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2313 0.7271 -0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9558 -0.3200 -0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4913 -1.3313 -1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0022 -2.7587 -1.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 -3.7380 -2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2631 -5.1652 -1.9579 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5983 -5.9961 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9859 -5.7046 0.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4523 -6.7439 1.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 -8.1237 1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 -6.2784 -6.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 -6.6108 -5.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7665 -7.9400 -6.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2357 -7.8194 -3.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7835 -7.7223 -4.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1077 -5.4003 -3.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5534 -6.1792 -2.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1573 -4.6895 -5.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 -5.4888 -5.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0904 -3.0270 -3.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5622 -3.1016 -4.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6597 -4.2525 -3.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0246 -3.6135 -0.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -3.6164 -0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7409 -2.8849 -2.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5176 -0.7323 -1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2561 -0.0232 0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9693 -1.6817 1.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9859 -3.0537 1.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0839 -2.3617 2.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5066 -2.5440 3.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7669 0.2527 2.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0676 -0.2824 3.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1001 -0.8413 4.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5767 -1.0843 5.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2925 0.9278 5.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9669 1.3417 5.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3838 2.8870 4.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1136 2.0589 3.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6233 1.6385 4.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9518 0.4562 3.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8395 3.8794 0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7412 1.9859 -0.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3746 3.6264 -1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9215 0.6520 -1.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2874 2.3312 -1.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1356 2.0240 -4.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6193 1.0365 -3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7607 -0.0584 -3.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7250 -0.0819 -4.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3411 -1.5222 -4.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0217 -1.3568 -2.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0798 -2.3790 -4.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1155 -3.4755 -3.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8301 -3.3936 -2.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0297 -1.6191 -2.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8382 -3.9303 -1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1064 -2.2179 -1.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6591 -3.8226 -0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0205 -2.1365 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3628 -3.0182 0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7763 -4.6299 0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5705 -4.4625 2.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9397 -4.4955 2.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1181 -3.0858 4.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4416 -2.1080 3.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5576 -1.9577 2.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9998 -0.9127 1.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1569 -0.9694 4.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4189 -0.8566 4.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5365 0.3525 3.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7889 5.2500 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5695 4.3274 1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5978 6.7493 4.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6184 8.0840 4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 8.6968 2.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3508 8.8688 4.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1732 6.8200 4.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6088 6.3905 2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 7.4085 2.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8736 8.9129 3.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 9.2174 1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4871 9.1774 0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3103 6.8192 0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 7.9604 -0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6812 7.4718 -0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 6.2935 1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7364 5.9801 -1.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2895 4.7884 -0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0126 5.9600 -1.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 4.8531 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3921 4.2779 -2.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9345 3.0869 -1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3576 3.4589 -0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6439 4.4777 -2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1549 2.5758 -3.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5332 2.2819 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1122 0.3094 -2.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6962 1.1921 -2.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9168 1.3750 -0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2221 -0.4939 0.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6089 -1.3823 -1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3785 -1.1379 -2.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9139 -2.7292 -1.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4721 -2.8799 -0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7312 -3.6382 -2.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3620 -3.3941 -3.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1404 -5.2965 -2.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7298 -5.7133 -2.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3761 -7.0959 -0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7323 -6.0196 -0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -5.8579 0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1492 -4.7165 0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -6.4838 2.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5549 -6.7388 1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1817 -8.0903 0.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5995 -8.7045 2.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8468 -8.7199 0.7619 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 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 21 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 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 2 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 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 6 22 98 1 0 22 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 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 38126 1 0 39127 1 0 39128 1 0 43129 1 0 43130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 46135 1 0 46136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 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 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 65173 1 0 M END