HMDB0043003 RDKit 3D TG(15:0/15:0/18:2(9Z,12Z)) 151150 0 0 0 0 0 0 0 0999 V2000 3.9162 -1.3871 -5.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0027 -0.2177 -4.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5717 -0.6805 -5.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5706 0.4553 -4.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7936 -0.1784 -5.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8988 0.7811 -5.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9032 0.7309 -4.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1066 -0.2984 -3.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2351 0.3815 -2.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4816 0.1580 -0.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3564 -0.7659 -0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0772 -0.0322 -0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2501 0.7708 0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6559 0.0574 2.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -0.9725 2.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0659 -1.6973 3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3419 -2.4421 3.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3073 -3.5368 2.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3242 -4.2544 2.4691 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2621 -3.7927 1.8599 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3612 -4.4408 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0684 -4.4153 -0.5387 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2870 -5.1848 -0.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4419 -4.5909 -0.3441 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6945 -5.1483 -0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7465 -6.2540 -1.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9670 -4.6434 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9099 -3.1270 0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2249 -2.6006 0.6961 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1871 -1.1177 0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1108 -0.5605 1.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2397 0.9495 1.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2332 1.6407 2.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5262 3.1343 2.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5847 3.9587 3.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 5.4317 3.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9878 6.2675 4.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3213 7.7319 4.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2447 8.3080 2.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8582 8.1798 2.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0489 -5.0509 -1.2594 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -4.2283 -2.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 -2.9813 -2.0524 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -4.5950 -2.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1473 -5.1009 -1.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4764 -4.2183 -0.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8454 -2.8241 -1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0822 -2.4776 -1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2132 -0.9565 -1.8451 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -0.3015 -0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3651 1.2238 -0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4007 1.8039 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3964 3.3027 0.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4014 3.8290 2.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3574 5.3248 2.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3499 5.8345 3.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1018 5.2217 4.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2915 -2.2941 -5.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4253 -1.2378 -6.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6941 -1.5362 -4.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 0.5830 -5.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1198 0.1760 -3.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4318 -1.0939 -6.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4026 -1.4414 -4.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7392 1.2764 -5.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6968 0.8371 -3.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.5450 -6.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8923 -1.0814 -4.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8607 1.6332 -5.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6841 1.5429 -4.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0881 -0.8172 -3.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3566 -1.0752 -3.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0585 1.1341 -1.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7199 0.7664 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1944 -1.3342 -1.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 -1.5231 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 -0.7258 -0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1153 0.6930 -1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 1.3220 0.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9546 1.6128 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6947 -0.3266 1.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 0.8135 2.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2674 -0.4057 2.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6528 -1.6816 1.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -2.4226 3.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0703 -1.0259 4.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5059 -2.9513 4.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2379 -1.8114 3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3006 -5.5908 1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4989 -4.3288 0.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -3.3888 -0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3473 -5.1778 -2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2223 -6.2641 -0.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2526 -5.0752 1.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8283 -4.8488 -0.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6917 -2.6743 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1225 -2.8757 0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3831 -2.9947 1.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0940 -2.9182 0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0253 -0.6257 -0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1874 -0.7016 1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1111 -0.9057 1.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3305 -0.9066 2.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1083 1.3590 0.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2412 1.2024 2.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2390 1.3236 3.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1949 1.5056 2.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5702 3.4729 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5531 3.2512 2.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5517 3.7770 2.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6293 3.6673 4.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9586 5.6274 3.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8851 5.7323 2.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9561 6.1629 3.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9548 5.9263 5.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2672 7.9895 4.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5315 8.2540 4.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4173 9.4168 2.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0188 7.9184 1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8617 7.2347 1.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0674 8.1502 2.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 8.9960 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3248 -3.8249 -3.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6989 -5.4746 -3.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0050 -5.3271 -2.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 -6.0825 -1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 -4.2656 -0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3205 -4.7242 -0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0756 -2.4408 0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9846 -2.1554 -1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9775 -2.8547 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0450 -2.8174 -2.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3406 -0.5667 -2.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1165 -0.7453 -2.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2989 -0.5817 -0.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5408 -0.6030 0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2597 1.5615 -1.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 1.6226 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5091 1.4532 1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3530 1.4867 1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 3.7313 0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2678 3.7590 0.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3515 3.5182 2.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4943 3.4327 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2162 5.7983 1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3882 5.7009 1.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2805 6.9182 3.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2145 5.4500 4.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3972 4.1657 4.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8026 5.7144 5.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2412 5.2132 3.5891 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 1 0 25 26 2 0 25 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 38 39 1 0 39 40 1 0 22 41 1 0 41 42 1 0 42 43 2 0 42 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 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 0 21 90 1 0 22 91 1 6 23 92 1 0 23 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 40122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 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 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 57151 1 0 M END