HMDB0010459 RDKit 3D TG(18:1(9Z)/18:1(9Z)/18:3(6Z,9Z,12Z)) 163162 0 0 0 0 0 0 0 0999 V2000 -1.7755 -5.6068 0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8189 -6.1248 1.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0058 -5.4965 2.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8302 -4.0178 2.9909 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5739 -3.5693 2.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6389 -2.1274 2.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8803 -1.2985 1.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1298 -1.7014 0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1235 -0.9945 -0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4756 -0.1442 -1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8423 0.1946 -1.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1777 0.0067 -3.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0624 -0.8160 -3.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 -1.6974 -2.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3653 -1.4298 -2.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0299 -2.5981 -2.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4823 -2.4539 -1.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8035 -1.3607 -0.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8733 -0.7362 -1.0806 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8939 -1.1033 0.0598 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1457 -0.1311 1.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9924 -0.0244 2.0207 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6979 -1.3976 2.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -2.3554 1.6156 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1947 -3.6640 1.9369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0797 -3.9680 3.1745 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -4.7295 0.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6294 -4.9220 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6602 -6.0610 -0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3548 -6.3549 -1.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7804 -5.1885 -1.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4598 -5.5378 -2.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0901 -4.3116 -3.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3313 -4.6255 -4.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5267 -4.1113 -3.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7806 -3.0532 -2.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8556 -3.4992 -1.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0269 -2.3536 -0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0681 -2.6614 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1618 -1.4638 1.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1841 -1.6860 2.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2652 -0.4897 3.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2803 -0.7242 4.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8418 0.4712 1.3165 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2992 1.6750 1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8556 2.2421 2.7346 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1397 2.3795 1.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 3.6137 0.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 4.3149 -0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 5.5510 -0.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 6.3452 -1.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6654 6.9176 -0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2395 7.7156 -1.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3272 8.3270 -0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5979 8.0661 -1.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1124 7.1782 -2.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0195 6.1135 -1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5439 5.1430 -0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2018 5.6969 0.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7957 4.4960 1.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4526 4.9883 2.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 3.8388 3.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7243 4.3139 5.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3131 -4.7920 -0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1268 -6.3729 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6599 -5.1108 1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9993 -7.2252 1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2073 -5.9354 1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0665 -5.7083 3.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3939 -6.0292 3.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0611 -3.6179 3.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5575 -3.5628 2.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2391 -4.0588 3.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7169 -4.0164 1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 -1.7172 3.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -0.1890 1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1641 -1.5008 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9643 -2.7809 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9367 -1.2192 -0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 0.3308 -1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8839 1.3545 -1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6364 -0.1154 -1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6002 0.6382 -3.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2061 -0.8307 -4.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7849 -2.7363 -3.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5049 -1.8753 -1.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7669 -1.4307 -3.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6299 -0.4746 -2.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8287 -3.5331 -2.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5368 -2.6105 -1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0529 -2.3269 -2.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9049 -3.3870 -1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2974 0.8558 0.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0841 -0.3820 1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2604 0.6539 2.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4976 -1.7099 3.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7787 -1.2906 3.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 -5.7097 1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 -4.6763 0.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 -3.9874 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9006 -5.2286 1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 -6.9210 -0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3827 -5.7950 -1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5298 -7.2261 -1.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5761 -6.7167 -0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4945 -5.0485 -2.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 -4.2504 -1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5866 -6.3205 -3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2232 -5.9080 -1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -4.1275 -4.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0512 -3.4190 -2.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2691 -5.4216 -4.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3878 -4.4572 -4.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1611 -2.1078 -3.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9019 -2.8611 -2.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7975 -3.7454 -2.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4457 -4.3601 -1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2739 -1.4181 -1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0557 -2.2979 -0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0504 -2.7394 -0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8294 -3.5672 0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1838 -1.2490 1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4591 -0.5473 0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1722 -1.9409 1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8600 -2.5482 2.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2646 -0.3144 3.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4887 0.4512 2.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2704 -0.3633 3.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0021 -0.1986 5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3740 -1.8080 4.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5367 2.7836 2.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4441 1.7668 0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0457 4.3083 1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2549 3.3884 -0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7094 4.6476 0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 3.6481 -0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4276 6.2105 -0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 5.1777 -1.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2059 5.7859 -2.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1943 7.2312 -2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0241 7.6013 0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0605 6.0979 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4856 7.0310 -2.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4232 8.5603 -2.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0531 9.0234 -0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3335 8.5940 -0.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7203 7.8192 -2.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3363 6.6869 -2.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0382 6.5264 -1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2715 5.4811 -2.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 4.3000 -0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6593 4.6117 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3086 6.3321 0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0531 6.2405 1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8712 4.0972 1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6318 3.7982 1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5939 5.6908 2.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2847 5.5492 3.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 3.2606 3.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 3.1313 3.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6252 4.3425 5.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9754 3.6801 5.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3476 5.3670 5.1964 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 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 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 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 0 21 94 1 0 22 95 1 1 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 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 35113 1 0 36114 1 0 36115 1 0 37116 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 43130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 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 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 63163 1 0 M END