HMDB0049874 RDKit 3D TG(18:1(9Z)/16:1(9Z)/18:3(9Z,12Z,15Z)) 157156 0 0 0 0 0 0 0 0999 V2000 -5.2642 7.2060 1.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3939 5.6858 1.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2927 5.2080 2.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9246 4.3898 3.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5592 3.8118 3.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6755 2.3406 3.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0954 1.5901 2.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2319 2.1913 1.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7421 1.9018 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0341 1.3063 -0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6824 0.8322 -0.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5347 -0.6778 -1.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0657 -0.9589 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -2.4349 -1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 -2.6784 -1.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1743 -4.0345 -1.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7668 -4.4329 -2.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2274 -3.4229 -3.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9257 -2.4500 -3.5177 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9284 -3.4514 -5.2465 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3789 -2.4046 -6.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6929 -1.0997 -5.7328 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1798 -1.2276 -6.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -2.1329 -5.0516 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -2.5300 -5.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3805 -2.0911 -5.9711 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2714 -3.4628 -4.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2997 -4.2834 -4.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0667 -5.2013 -3.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9924 -4.7859 -2.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8118 -4.0923 -1.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9656 -4.7938 -0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1214 -4.0858 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3703 -4.8053 1.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 -4.3382 2.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1155 -2.9342 2.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6155 -2.7743 2.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2328 -1.3177 2.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2284 -1.0507 2.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -1.8164 3.8893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4647 -1.4948 3.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0907 -1.8333 2.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5819 -1.4961 2.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2074 -0.0551 -6.5726 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6332 1.0924 -5.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5245 1.1305 -4.6802 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2039 2.3006 -6.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3427 3.4449 -5.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2147 3.2957 -4.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0932 4.6027 -3.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9631 4.4964 -2.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7922 5.7471 -1.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6257 5.7168 -0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2256 4.5569 0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7114 4.6668 1.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4424 5.8981 2.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 5.9986 2.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5022 4.8248 3.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0159 4.9703 3.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5275 3.8048 4.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9419 3.9840 4.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5140 7.5518 0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2445 7.6693 1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9628 7.5359 2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3879 5.2793 1.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8827 5.4138 0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3194 5.5714 2.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6779 4.0969 3.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7715 4.2965 2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3385 4.0262 4.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3139 1.8720 4.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2426 0.5243 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0773 3.2666 1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 1.7440 1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7839 2.2319 -0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5535 1.1515 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0714 1.3612 -1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 0.9775 0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0749 -1.1703 -0.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9411 -0.9186 -2.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 -0.3110 -1.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2256 -0.7181 0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3889 -3.1050 -0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0521 -2.6328 -2.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8743 -2.6314 -0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3272 -1.8615 -1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2909 -4.0217 -1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8518 -4.8336 -0.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2713 -5.3982 -3.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7076 -4.6570 -2.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1907 -2.6743 -7.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4719 -2.3319 -5.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -0.8445 -4.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1331 -1.6406 -7.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3128 -0.2544 -6.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -4.0745 -3.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6211 -2.8822 -3.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9627 -3.6499 -5.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7366 -4.9007 -5.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6496 -5.9111 -4.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3423 -5.9944 -3.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8979 -4.2608 -3.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5618 -5.7818 -2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8414 -3.9716 -1.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4804 -3.0363 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9081 -4.8129 -0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3594 -5.8191 -0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2188 -4.1699 1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9141 -3.0197 0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5555 -5.9187 1.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 -5.0785 3.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6093 -2.2742 2.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3644 -2.6127 3.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2001 -3.1478 1.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1057 -3.3477 3.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6023 -0.9945 3.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8329 -0.7188 2.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6588 -1.2618 1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 0.0608 3.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -2.9081 3.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6559 -1.5705 4.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 -0.3909 4.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -2.0350 4.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9865 -2.8742 2.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6579 -1.1345 1.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7324 -0.3810 2.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0703 -1.8927 1.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0424 -1.8622 3.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5657 2.5387 -7.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 2.0003 -7.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3247 3.7713 -5.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7515 4.3072 -6.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0262 2.5062 -3.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3080 3.2390 -4.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3916 5.4837 -4.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0333 4.7469 -3.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0181 4.4789 -2.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7088 3.5810 -1.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0227 6.6618 -2.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7259 5.8529 -1.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4784 6.6496 0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6879 5.5799 -0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3878 3.5656 0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4539 3.7045 2.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 5.8298 3.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7103 6.8399 1.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7776 6.9204 3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3518 6.0173 1.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6102 3.8636 3.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0627 4.7700 4.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 5.9001 4.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5058 4.8818 2.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6805 2.8212 4.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1202 3.8123 5.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1494 4.7852 5.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3534 3.0505 5.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5295 4.1885 4.0678 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 2 0 35 36 1 0 36 37 1 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 1 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 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 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