HMDB0050217 RDKit 3D TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -1.9116 1.5255 -1.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5692 0.6594 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7004 -0.2716 0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 -1.5734 0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3187 -2.3365 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1464 -3.2753 1.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -3.4129 1.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0014 -2.5361 2.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1602 -1.9135 3.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1821 -0.6394 3.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0767 0.3747 2.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0186 1.4222 2.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1451 1.7034 2.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7957 0.9594 3.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1947 0.6707 3.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7785 -0.4700 3.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 -1.7783 3.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 -2.6445 2.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 -3.9697 2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3685 -4.8181 1.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0364 -4.4260 0.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -5.9307 1.3134 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3483 -6.7748 0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6089 -6.1301 -0.8899 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8415 -7.1494 -1.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -6.4591 -2.3569 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1546 -7.0486 -3.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0911 -8.2792 -3.3895 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2884 -6.3068 -3.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0438 -4.8376 -3.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2063 -4.1081 -4.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4481 -4.3433 -3.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6459 -3.6065 -4.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8954 -3.8251 -3.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6414 -3.3591 -1.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8108 -3.5052 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3936 -2.5083 -0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9401 -1.1218 -0.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4939 -0.4857 0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5739 -0.4199 1.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0489 0.2187 3.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5674 1.6354 2.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0484 2.2284 4.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5930 3.6460 3.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0733 4.2306 5.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1948 -5.1093 -1.5796 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8849 -3.7698 -1.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 -3.4059 -0.9422 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7158 -2.8962 -2.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6671 -1.4352 -2.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -0.7741 -2.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3846 0.6576 -1.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0529 1.6676 -2.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4976 1.6293 -3.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7919 2.9187 -3.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6609 3.7812 -3.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4479 3.6600 -2.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3523 4.5234 -0.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5157 5.4706 -0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4271 5.9430 -1.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6958 7.4015 -1.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8704 8.3238 -1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 8.0280 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4655 8.5952 -1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6899 9.4768 -0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8434 9.9937 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 9.6061 1.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1743 1.3194 -1.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8342 2.6062 -0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 1.2432 -1.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4172 1.3216 0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6097 0.1932 -0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7089 0.1919 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5258 -2.1265 0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4961 -1.6569 -0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -2.9282 -0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0082 -4.0112 1.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2211 -4.1909 2.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -3.2511 1.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0795 -1.8744 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2691 -2.6320 4.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2571 -0.3374 4.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7953 -0.0307 1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0803 0.9318 2.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6628 2.1268 1.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6761 2.6242 2.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4179 -0.0059 4.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0117 1.6094 4.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8159 1.5663 3.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8424 -0.4936 2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8968 -2.3141 4.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2283 -1.7636 4.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5554 -2.1929 1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1641 -2.7901 1.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2573 -4.5115 3.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5978 -3.9072 3.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7644 -7.6430 0.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 -7.1869 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7188 -5.6081 -0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5318 -7.6396 -2.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4905 -7.9417 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4361 -6.6210 -4.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -6.5397 -3.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -4.5643 -4.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8959 -4.4292 -2.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0215 -3.0009 -4.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3696 -4.4292 -5.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2235 -4.0035 -2.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7256 -5.4066 -3.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4364 -2.5220 -4.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8476 -3.8838 -5.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6955 -3.1782 -3.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1750 -4.8893 -3.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8418 -4.0567 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1579 -2.3821 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2204 -4.4940 -0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2679 -2.6927 0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2314 -0.9011 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8743 -0.5294 -0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1708 0.5656 0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6191 -1.0469 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3752 0.2668 1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0213 -1.4001 2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2053 -0.3944 3.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8466 0.2310 3.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7035 1.5931 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3592 2.2605 2.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8116 2.2669 4.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1820 1.5983 4.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7779 3.6267 3.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4180 4.2500 3.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6735 3.8886 6.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0278 3.8325 5.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1098 5.3291 5.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5278 -3.0957 -3.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7856 -3.2181 -2.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9196 -1.3857 -1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5259 -0.9044 -2.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8061 -1.0084 -3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6674 -1.2635 -1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3072 1.0341 -1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7813 0.7668 -0.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5057 1.9199 -3.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9076 2.6618 -2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1924 1.3563 -2.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6451 0.8743 -3.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2322 3.0838 -4.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8081 4.6786 -3.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5856 3.7784 -2.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5439 2.5676 -1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1443 4.2889 -0.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6443 6.0127 0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 5.8347 -1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3005 5.4966 -2.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 7.6335 -2.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 9.3625 -1.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4189 6.9619 -0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6515 8.4796 0.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2637 8.2684 -2.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1746 9.8803 -1.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7093 11.1416 0.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7304 9.8011 0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5154 10.3447 2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3028 9.6681 0.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2754 8.6232 1.7033 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 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 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 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 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 1 25100 1 0 25101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END