HMDB0045393 RDKit 3D TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 165164 0 0 0 0 0 0 0 0999 V2000 0.4955 -1.7206 -9.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9881 -1.3834 -9.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1799 0.0628 -9.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8724 0.8442 -8.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5745 0.3481 -7.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0065 1.0629 -6.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3926 0.3971 -5.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1792 -1.0305 -5.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7427 -1.7597 -4.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4936 -1.3384 -3.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0704 -0.0389 -2.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5587 -0.2614 -2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4682 0.3442 -3.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2604 1.4089 -4.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9817 2.6103 -4.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3995 3.7595 -3.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9717 4.0808 -4.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3085 4.5299 -2.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 3.5125 -1.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5963 4.1268 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3645 5.3587 -0.5633 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 3.4350 0.5814 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5944 3.9213 1.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5494 4.8538 2.4531 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8153 5.6376 3.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 6.1566 2.9383 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5398 7.0642 1.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6253 7.5193 1.4434 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7491 7.5148 1.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8636 7.6670 2.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1941 6.4438 3.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5315 5.2322 2.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7886 4.1101 3.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0919 2.8067 2.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3351 1.6971 3.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1506 1.4995 4.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3035 0.3979 5.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5051 -0.9147 4.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6483 -2.0584 5.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8408 -3.3652 5.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9795 -4.5068 6.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1711 -5.8261 5.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 -5.8793 4.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4577 -7.2755 3.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5434 -8.3166 5.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6857 4.2273 2.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9871 4.2943 2.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2575 5.0870 1.5851 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0699 3.5150 3.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7051 2.0814 3.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4491 1.3274 2.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1184 -0.0377 2.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0010 -0.6250 2.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9737 0.1174 1.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7462 0.1744 2.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5791 -0.2543 1.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3353 -0.8460 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7059 0.0025 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8309 -0.4859 -0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1654 -1.9239 -0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4206 -2.6076 -1.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5368 -3.2003 -1.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 -3.2560 -1.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8196 -2.5784 -1.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9195 -3.2491 -1.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1911 -4.6281 -1.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4955 -5.4946 -2.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -1.5666 -8.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 -2.7816 -9.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -1.0637 -9.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6183 -1.8849 -8.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2496 -1.8505 -10.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 0.5306 -10.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9473 1.9022 -9.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6713 -0.7189 -7.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6375 0.7442 -7.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1099 2.1472 -6.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9682 1.0771 -4.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4582 -1.5786 -6.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -1.2251 -5.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4759 -2.8796 -4.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7886 -2.1410 -2.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7512 0.2224 -1.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8327 0.8074 -3.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8109 -1.0463 -2.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5320 0.0439 -3.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2033 1.5304 -4.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6911 1.0620 -5.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0554 2.5303 -3.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0258 4.6042 -3.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3763 3.3214 -4.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9437 4.9876 -4.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2796 4.9051 -2.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 5.4114 -2.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6744 2.6671 -2.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2851 3.1675 -1.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1378 3.1663 2.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7393 4.5826 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 5.5834 1.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6118 5.0290 4.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4863 6.5084 3.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 6.8487 0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 8.5059 0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 7.9048 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7446 8.5437 3.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 6.7166 3.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4032 6.2014 3.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4906 5.4206 1.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7713 4.9898 1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6561 4.4171 3.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 4.0242 3.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1864 2.4796 2.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9857 2.8559 1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2065 1.9478 4.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 0.7528 3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 2.4500 5.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2333 1.3931 3.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1233 0.6038 6.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3851 0.2875 6.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 -1.1236 4.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3808 -0.9572 4.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 -2.0902 6.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5374 -1.8274 6.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0002 -3.5593 4.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7654 -3.3496 4.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7864 -4.3324 6.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0386 -4.5590 6.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2749 -6.1142 4.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3147 -6.5845 6.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3182 -5.1471 3.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 -5.6714 5.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5336 -7.4603 3.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3283 -7.3504 3.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8373 -9.2705 4.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2306 -8.0207 5.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -8.4955 5.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9950 3.5042 2.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4127 4.0057 4.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7916 2.0442 4.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5213 1.6085 4.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4626 1.3277 1.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7325 1.9363 1.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8285 -0.6191 3.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7498 -1.6552 2.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8017 -0.6209 0.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3085 1.0089 0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 0.6038 3.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2663 -0.1562 2.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2099 -1.9055 0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2481 -0.6363 -0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 1.0631 -0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5943 0.1510 -1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 -1.8493 0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4782 -2.5144 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5986 -2.5946 -2.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6634 -3.6969 -2.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5187 -2.8755 -0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9102 -4.3565 -0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7431 -1.5348 -2.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7360 -2.6922 -2.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2060 -4.6119 -1.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5549 -5.1887 -0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3546 -5.1030 -3.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7532 -6.5236 -2.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5897 -5.5762 -3.4599 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 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 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 2 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 6 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 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 45136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 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