HMDB0043657 RDKit 3D TG(15:0/18:4(6Z,9Z,12Z,15Z)/16:0) 150149 0 0 0 0 0 0 0 0999 V2000 3.5436 2.5673 6.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8726 3.1009 6.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6156 3.7731 5.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1002 3.5117 3.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0523 2.5029 3.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6639 1.6344 4.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6091 0.3581 4.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9203 -0.6332 3.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1763 -0.2817 2.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8848 -0.4016 2.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9077 -0.9415 3.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8037 -0.1537 3.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4808 1.0757 3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 2.0472 2.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2071 2.4855 1.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 3.4878 0.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9171 4.0008 -0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4193 2.9420 -1.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8198 1.7540 -1.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4922 3.1896 -2.2999 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0595 2.3628 -3.2310 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5322 2.1331 -3.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9276 1.5110 -1.9951 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2192 1.1139 -1.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1222 1.3177 -2.5107 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5493 0.4553 -0.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9554 -0.0402 -0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1143 -0.7414 1.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4921 -1.2937 1.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8344 -2.0775 2.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8368 -1.5284 3.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5906 -0.9697 4.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8535 -0.5867 5.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6155 -0.0066 6.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1293 1.2517 5.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8673 1.6967 6.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3403 2.9804 5.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9862 2.9026 4.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4719 4.2658 4.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5352 2.7442 -4.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8445 2.4650 -4.5822 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 2.6579 -5.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3341 3.1146 -6.7124 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1775 2.2816 -5.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 0.9030 -6.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5321 0.1687 -5.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9533 -0.0080 -4.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8670 -0.6424 -3.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3937 -1.9819 -4.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2275 -2.3975 -3.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6707 -3.7541 -3.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5157 -4.0484 -2.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1756 -5.3494 -2.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6938 -5.3066 -4.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4103 -6.5855 -4.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0399 -6.7754 -5.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1223 -6.8065 -7.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3652 -5.5693 -7.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8135 1.9909 7.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8898 3.3981 7.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 1.8795 6.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4868 2.2291 6.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2718 3.8474 7.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8823 4.6512 5.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6918 4.2261 3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 2.0369 2.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8921 3.1635 2.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3465 2.1631 5.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2148 -0.0648 5.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3559 -1.3440 4.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7536 -1.3815 3.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7529 0.0984 1.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5315 -0.1010 1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5157 -1.9616 2.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4865 -1.3248 4.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 -0.6949 4.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5349 1.4720 4.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3345 3.0016 3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1831 1.8225 2.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8189 1.5912 1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4054 3.0269 2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2514 4.3621 1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6973 2.9570 0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0288 4.4476 0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3787 4.8446 -0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6325 1.2845 -3.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7493 1.3734 -4.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1466 3.0140 -3.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3196 1.1831 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8392 -0.3917 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6502 0.8189 -0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2560 -0.6917 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9695 0.0900 1.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3157 -1.4709 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2686 -0.4548 1.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7357 -1.8681 0.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9121 -2.4591 2.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2486 -3.0684 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6939 -0.7908 3.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1561 -2.3767 4.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3609 0.0375 3.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7225 -1.6239 4.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6793 0.1243 5.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1153 -1.4989 6.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8776 0.2178 7.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8114 -0.7751 6.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8082 1.0323 4.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8434 2.0813 5.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0856 1.8642 7.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 0.9226 6.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0835 3.7844 6.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4482 3.2646 6.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8606 2.6586 3.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2027 2.1353 4.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7879 4.3935 2.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 5.0918 4.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3743 4.2560 4.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0556 2.1757 -5.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7197 3.8532 -4.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 2.4057 -4.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7246 3.0152 -6.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0261 0.9978 -7.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4188 0.2477 -5.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4816 -0.8051 -6.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3350 0.7784 -6.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2659 0.9216 -3.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8257 -0.6876 -4.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 -0.7658 -2.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 0.0118 -3.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0938 -2.0077 -5.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1511 -2.7945 -3.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4481 -1.5982 -3.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5453 -2.3813 -2.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3599 -3.6682 -4.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -4.5099 -3.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8272 -4.0291 -1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1867 -3.1733 -2.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 -5.4351 -2.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4647 -6.2184 -2.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2429 -5.2785 -5.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2469 -4.3886 -4.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1747 -6.6855 -3.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6682 -7.4239 -4.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8921 -6.0321 -6.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 -7.7530 -5.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6276 -7.1994 -8.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -7.6200 -6.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4082 -5.4551 -8.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 -4.6287 -7.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7039 -5.7104 -7.2506 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 2 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 38 39 1 0 21 40 1 0 40 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 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 21 86 1 1 22 87 1 0 22 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 51134 1 0 51135 1 0 52136 1 0 52137 1 0 53138 1 0 53139 1 0 54140 1 0 54141 1 0 55142 1 0 55143 1 0 56144 1 0 56145 1 0 57146 1 0 57147 1 0 58148 1 0 58149 1 0 58150 1 0 M END