HMDB0048422 RDKit 3D TG(16:1(9Z)/14:0/20:2n6) 155154 0 0 0 0 0 0 0 0999 V2000 3.0359 -1.5718 6.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6062 -2.8820 6.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5111 -2.7512 5.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7816 -2.1701 4.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6006 -3.0591 3.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0604 -4.4085 3.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9057 -5.0319 2.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 -4.4783 0.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0892 -5.4432 0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0066 -6.1402 -0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0155 -6.0413 -1.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4971 -5.6910 -2.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7222 -4.4112 -2.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3049 -4.2624 -4.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5111 -3.0920 -4.7632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 -1.7890 -4.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6659 -0.6290 -4.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 0.6973 -4.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0446 1.1387 -3.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6084 2.5299 -3.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3486 2.8199 -4.2222 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3779 3.5063 -2.3224 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9388 4.7977 -2.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4484 5.7775 -1.4429 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1852 6.0146 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8906 5.3235 0.9335 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0193 3.9633 1.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 3.2917 0.3323 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5839 3.4746 2.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8281 2.0673 2.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1476 1.4832 3.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1376 1.3468 1.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7449 0.4504 0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8483 0.4361 -0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -0.0880 0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1359 -0.0559 -0.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7895 -1.0589 -1.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6270 -2.4347 -0.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9612 -3.0124 -0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6466 -4.4276 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8963 -5.0897 0.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4850 -4.3289 1.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5146 -4.2402 2.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9488 5.9039 -1.4035 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7394 6.8221 -2.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 7.6832 -2.7466 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2445 6.8048 -1.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7959 7.5957 -3.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2522 7.7976 -3.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2010 6.6970 -3.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3116 5.6607 -2.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4348 4.6541 -2.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5122 3.6321 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5695 2.5887 -1.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6100 1.5990 -0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6589 0.5663 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7264 -0.4443 0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7988 -1.4382 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8955 -2.4520 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -1.6047 8.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0037 -1.4184 6.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6413 -0.7007 6.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2561 -3.3138 7.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 -3.6558 6.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9999 -3.7103 5.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3155 -2.0463 5.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4703 -1.9738 3.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3605 -1.2140 4.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1129 -2.5718 2.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9434 -3.0643 4.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6002 -4.9342 4.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3352 -6.0642 2.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6603 -3.5599 1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8517 -4.2884 0.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3053 -5.5527 1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1541 -6.8377 -0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3973 -7.1417 -1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9481 -5.5216 -1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8003 -6.5056 -3.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3277 -5.7132 -3.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3764 -3.5724 -2.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1715 -4.3820 -2.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2441 -4.3458 -5.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2645 -5.1941 -4.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4403 -3.1301 -4.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -3.1150 -5.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1716 -1.7262 -4.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -1.7471 -3.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6978 -0.7900 -4.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8019 -0.7509 -6.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9068 0.7862 -5.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7393 1.5150 -5.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6373 0.4925 -2.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9912 1.1763 -2.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0435 4.6281 -2.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9482 5.1564 -3.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 6.7967 -2.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3008 5.9408 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1566 7.1251 0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5332 3.7182 2.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0153 4.1000 3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2589 1.8344 3.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2301 1.3833 2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6898 2.0038 3.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9769 0.4491 3.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0581 0.8134 2.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5398 2.3277 1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7877 0.6739 0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5887 -0.6150 1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0335 1.5123 -0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 -0.0478 -1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 0.6628 1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9712 -1.0554 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3425 0.9369 -1.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4972 -0.9084 -2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9356 -2.5543 -0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3276 -3.1137 -1.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6393 -3.0576 -1.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3550 -2.3902 0.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -5.0193 -0.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8533 -4.3629 0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7651 -6.1547 0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6409 -5.0224 -0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8656 -3.3434 1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3432 -4.9550 2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0633 -5.2572 3.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7531 -3.4611 2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1138 -3.9583 3.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 7.3184 -0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5718 5.7701 -1.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4745 7.1196 -4.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2457 8.5997 -3.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4575 8.5356 -3.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5810 8.3945 -2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2518 7.0879 -3.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9579 6.1443 -4.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4164 4.9740 -2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4278 6.0568 -1.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3596 5.2523 -2.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2422 4.2027 -3.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5363 3.1522 -1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7814 4.1428 -0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5548 3.0613 -1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3292 2.0348 -2.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8319 2.1498 0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6397 1.0927 -0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6776 0.9766 -0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4381 -0.0362 -1.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9837 0.0849 1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7372 -0.9342 0.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5478 -1.9326 -0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7771 -0.9057 -0.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9828 -2.3706 1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7469 -2.2470 1.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9865 -3.4540 0.6543 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 1 0 13 14 1 0 14 15 1 0 15 16 1 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 24 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 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 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 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 23 96 1 0 24 97 1 6 25 98 1 0 25 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 54144 1 0 55145 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 59155 1 0 M END