HMDB0049254 RDKit 3D TG(18:1(11Z)/16:1(9Z)/18:3(9Z,12Z,15Z)) 157156 0 0 0 0 0 0 0 0999 V2000 7.3113 -4.8969 -7.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2512 -5.5095 -6.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8656 -4.6715 -5.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6434 -4.2515 -5.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5443 -4.5799 -6.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5594 -5.3789 -5.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3305 -4.9971 -5.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7018 -3.7617 -6.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2443 -2.9910 -4.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0079 -2.7188 -4.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0843 -3.1189 -5.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8999 -1.9763 -6.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9785 -1.1270 -6.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6395 0.0152 -7.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2119 1.1455 -6.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 2.0932 -6.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5565 1.7282 -4.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 1.3970 -3.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2633 2.2879 -2.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9098 0.2257 -3.4426 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5027 0.0092 -2.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4065 -0.3142 -1.2209 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7677 -0.7827 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1066 0.1442 1.0863 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1179 1.0253 1.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0658 1.0460 0.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0099 1.9044 2.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1373 2.7540 2.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4544 2.0770 3.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3022 1.0486 4.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6985 1.5851 5.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6066 0.3936 6.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8805 0.7606 7.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8524 -0.4860 8.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0560 -0.3228 9.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1106 -1.5726 10.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0608 -2.3061 10.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7203 -1.9368 10.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1594 -3.0098 9.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2086 -2.6624 8.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2304 -1.3470 8.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6484 -1.0973 7.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7019 0.1952 6.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 0.6558 -1.0532 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0733 0.4428 -1.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1511 -0.7139 -1.8921 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 1.3879 -1.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2372 2.2537 -2.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4105 3.2073 -2.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6754 2.4174 -2.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 3.2780 -1.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9458 4.1446 -0.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 3.4403 0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 2.5450 0.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9399 1.2967 1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7301 0.5597 1.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 -0.6331 0.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3261 -1.4010 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2538 -2.5529 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -3.3570 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8898 -4.5128 -0.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4445 -5.5782 -8.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3048 -4.9384 -7.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1061 -3.8620 -7.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8192 -6.3967 -6.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4644 -6.0173 -7.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6183 -4.3984 -4.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3653 -3.6378 -4.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1583 -3.5530 -6.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8858 -4.9998 -7.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8352 -6.3394 -5.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6124 -5.6355 -4.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 -3.1796 -6.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1092 -4.1434 -6.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -2.6459 -4.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -2.1231 -3.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9296 -3.8288 -6.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8574 -3.6413 -4.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -1.4727 -5.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6387 -2.4701 -6.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0462 -0.9394 -6.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6565 -1.8556 -7.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 0.4492 -8.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4626 -0.4016 -8.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7719 1.7728 -7.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0823 0.7885 -6.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9769 3.0183 -5.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 2.6461 -6.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8027 0.9125 -5.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8132 2.6018 -4.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0041 0.9818 -1.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2422 -0.8198 -2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8641 -1.2557 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6559 -1.5066 0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9105 -1.4218 0.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5987 1.2915 3.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1362 2.5936 2.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2566 3.5540 2.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8996 3.3330 3.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7619 1.5430 2.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2529 2.7828 3.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3592 0.7432 4.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8131 0.1245 3.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7304 2.0735 5.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3638 2.3199 6.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1383 -0.4794 5.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6467 0.0999 6.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8178 0.9821 7.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3007 1.6360 8.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4203 -1.2892 7.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8960 -0.7695 8.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6704 0.4265 10.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1056 0.1690 9.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0738 -1.9236 10.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1275 -3.2587 11.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -2.0583 11.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -0.9287 10.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0828 -3.9693 9.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -3.1304 8.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9482 -2.6179 9.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5618 -3.4287 8.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0229 -0.5157 8.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -1.3395 7.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3754 -1.0339 8.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9721 -1.9233 6.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6722 0.7337 7.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8991 0.8580 7.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6675 0.0518 5.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9577 0.7538 -1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9244 1.9435 -0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4748 1.5932 -3.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3492 2.8412 -2.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5199 3.8217 -3.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1772 3.8769 -1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6079 1.7294 -1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7979 1.7590 -2.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 2.6975 -2.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9058 3.9785 -2.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8986 4.7594 -0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1483 4.9292 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9082 3.0461 0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9725 4.2731 1.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0437 2.9705 0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8790 0.7145 1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7483 0.1338 2.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7765 1.0898 1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4797 -1.3444 0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5209 -0.2678 -0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4724 -0.7297 0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3697 -1.7969 1.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2085 -2.2164 -1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1348 -3.2276 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0885 -2.6936 -0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -3.7836 1.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9089 -5.5057 -0.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9061 -4.4849 -1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7414 -4.4614 -1.6588 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 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 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 22 44 1 0 44 45 1 0 45 46 2 0 45 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 2 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 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 0 21 92 1 0 22 93 1 6 23 94 1 0 23 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 43128 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 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 61157 1 0 M END