HMDB0054661 RDKit 3D TG(22:4(7Z,10Z,13Z,16Z)/16:0/18:4(6Z,9Z,12Z,15Z)) 163162 0 0 0 0 0 0 0 0999 V2000 4.5822 4.7531 -6.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6271 5.2897 -5.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4715 4.1835 -5.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5956 3.8018 -3.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8868 4.4438 -2.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9617 4.9873 -1.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1597 4.6546 -0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3855 3.6793 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8686 4.5233 1.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6246 4.6367 1.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5017 3.9460 1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 4.8142 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3196 4.9451 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6314 4.3058 1.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 3.4442 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1825 2.1308 0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4969 1.2065 1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7877 -0.0967 1.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 -0.1630 -0.1356 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1277 -1.2021 1.8822 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -2.4263 1.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6585 -3.5090 2.3329 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3235 -4.0357 2.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5007 -4.2696 1.7101 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7855 -4.7495 1.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2944 -5.0165 2.9175 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5897 -4.9530 0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9809 -5.4467 0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6012 -5.5253 -0.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0182 -5.9895 -0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9228 -5.0895 0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3346 -5.4731 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3123 -4.7069 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0680 -3.3142 -0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4208 -3.0131 -2.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6017 -2.5982 -3.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1534 -2.3675 -2.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7068 -0.9958 -3.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1422 -0.2683 -2.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8745 -0.6986 -0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4073 -0.6486 -0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8067 0.0536 0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5292 0.9072 1.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3771 0.5508 2.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9832 0.5988 3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0748 0.2107 4.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7409 0.2090 5.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6111 -3.1775 3.2312 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8629 -3.7027 3.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 -4.6677 2.8091 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7404 -3.0790 4.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1757 -1.7376 3.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9997 -2.0250 2.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2188 -0.7199 1.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0325 -0.6857 0.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6915 -1.5939 -0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3525 -1.6188 -0.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8328 -0.3194 -1.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4584 -0.6207 -2.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6965 0.5022 -2.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.2497 -3.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3828 2.3356 -4.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0108 3.3442 -3.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0788 4.3387 -3.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6323 5.3974 -2.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5614 3.6617 -6.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8388 5.1213 -7.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5861 5.1490 -6.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2922 5.9951 -6.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 5.8249 -4.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0484 3.6206 -5.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2421 2.9658 -3.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1989 5.2214 -3.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3535 3.5868 -2.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6228 5.7414 -2.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0307 5.1685 -0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6177 3.2279 -0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1047 2.9579 0.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6192 5.0959 1.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4097 5.3192 2.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0324 3.3023 1.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8776 3.2160 0.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9595 5.3797 -0.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7045 5.6499 0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 3.8198 2.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1575 5.1528 2.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2285 3.2780 2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1237 4.0253 0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4298 2.2412 -0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1355 1.6697 0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4591 1.5984 2.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2139 1.0152 2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 -2.7453 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3734 -2.2610 0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0661 -4.3777 1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1431 -3.3523 3.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4489 -5.0014 3.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0537 -5.7361 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5797 -4.0500 -0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9721 -6.4113 1.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5871 -4.6896 1.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9471 -6.0896 -1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6044 -4.4617 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3767 -6.0208 -1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0764 -7.0068 -0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6498 -4.0725 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6412 -5.2870 1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5533 -6.5223 0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3340 -5.1319 -0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8490 -2.7116 -0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0752 -3.0068 -0.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4726 -3.1511 -2.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9905 -2.3962 -4.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6710 -3.0185 -3.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7917 -2.8736 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8548 -0.5653 -4.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8412 0.7493 -2.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4246 -0.0755 -0.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2422 -1.7424 -0.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7633 -1.2806 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7014 -0.0699 0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1504 1.9661 1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5919 0.9663 1.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9795 1.3011 3.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8111 -0.4335 3.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2838 -0.1152 2.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6058 1.6356 3.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5232 -0.8159 4.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8357 0.8678 5.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9837 0.6191 4.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4901 -0.8243 5.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7829 0.8288 6.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1304 -2.9461 5.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6049 -3.7078 4.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7254 -1.1605 4.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 -1.2029 3.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9315 -2.4838 3.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4929 -2.7784 2.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7532 -0.0646 2.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2484 -0.1580 1.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9376 0.3690 0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1333 -0.7789 0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1023 -2.6538 -0.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3916 -1.2818 -1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 -2.0247 -0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3514 -2.3809 -1.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5094 0.0718 -2.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7476 0.4237 -0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9108 -1.2127 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6728 -1.3695 -2.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6721 0.1296 -2.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 1.2475 -1.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4518 0.5461 -4.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3009 1.6495 -3.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4707 1.8976 -4.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9149 2.8898 -5.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8949 3.8618 -2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 2.8677 -2.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1669 3.7353 -4.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5381 4.7816 -4.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4566 6.0122 -2.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0483 4.9365 -2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0987 6.0663 -3.4232 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 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 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 22 48 1 0 48 49 1 0 49 50 2 0 49 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 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 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 6 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 33109 1 0 34110 1 0 34111 1 0 35112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 47132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 65163 1 0 M END