HMDB0053823 RDKit 3D TG(20:3n6/24:1(15Z)/22:2(13Z,16Z)) 197196 0 0 0 0 0 0 0 0999 V2000 5.9648 -1.7615 -1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3661 -3.1115 -0.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2857 -3.6323 0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7704 -4.9517 0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8027 -5.6185 1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5312 -4.7948 2.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3472 -4.3944 3.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1274 -4.7266 2.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1756 -5.4229 3.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7372 -6.6087 3.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -7.4170 1.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1259 -7.7312 1.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2405 -7.3771 -0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -6.6711 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1571 -5.3483 -1.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2357 -4.7018 -2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6823 -3.3846 -2.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6894 -2.6401 -3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 -1.3263 -4.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0368 -0.5147 -4.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1105 -1.0160 -5.2612 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7722 0.8017 -5.0961 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6874 1.6392 -5.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1747 3.0751 -5.7961 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3383 3.4395 -6.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0273 3.1180 -6.8703 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8294 3.4825 -7.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2873 4.0451 -8.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3186 3.2191 -7.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 4.4728 -7.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4873 4.4472 -7.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0341 3.3812 -6.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4234 3.5045 -5.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9202 2.6134 -4.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9206 1.1448 -4.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3704 0.3794 -3.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3378 0.5771 -1.9745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0329 -0.0149 -2.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9512 0.1935 -1.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2757 -0.2813 -0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 0.5195 1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9011 1.9751 0.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 2.1832 1.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5709 3.0394 2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 3.9559 3.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8719 3.6630 4.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9011 4.4222 5.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7836 5.9010 5.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8637 6.6226 4.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8737 3.4961 -4.5254 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 4.2630 -3.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 4.6644 -4.1017 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 4.6206 -2.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3539 5.0420 -1.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 3.9106 -1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5099 4.1685 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1993 4.3705 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5222 3.1461 1.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 3.3674 3.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6286 2.1356 3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 2.3760 5.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 1.2244 5.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4148 0.9769 5.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 -0.1862 6.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6127 -0.4449 5.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8028 -0.7474 4.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3447 -1.8512 3.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8131 -2.8918 4.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3304 -3.1041 4.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 -3.4738 3.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2716 -3.6177 3.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7359 -3.9741 1.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2279 -4.0864 1.9634 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7062 -5.1557 2.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2283 -5.2684 2.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8561 -1.1021 -1.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2597 -1.2464 -0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5016 -1.8439 -2.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5501 -3.7860 -1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3383 -3.0006 -0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3724 -3.7498 -0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2247 -2.9124 1.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8522 -5.6474 -0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7405 -4.8436 1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9618 -6.0759 1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3990 -6.5126 2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4032 -4.5065 3.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1999 -3.7644 4.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2722 -5.1071 1.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6398 -3.6999 2.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8579 -4.8328 4.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0099 -7.0577 3.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5104 -8.4126 2.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8639 -7.0746 1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -8.2677 1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1986 -7.6575 -0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8814 -7.2883 -1.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6962 -6.4462 -0.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7725 -5.4875 -1.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0689 -4.7298 -0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 -5.3781 -3.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1802 -4.5720 -1.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4523 -2.7714 -1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2619 -3.5590 -3.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6278 -2.4717 -3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9428 -3.2966 -4.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1807 -1.5731 -4.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8231 -0.7657 -3.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7681 1.3054 -6.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6753 1.5260 -5.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 3.6316 -6.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3804 4.5435 -7.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7714 2.9679 -7.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5722 2.3266 -7.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6352 3.0299 -9.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6159 4.7320 -6.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 5.3412 -8.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0068 4.3800 -8.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8108 5.4213 -6.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 3.6458 -6.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0152 2.3906 -6.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3069 3.4244 -5.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 4.5685 -4.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 2.7852 -3.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9423 2.8991 -3.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7486 0.9574 -5.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0207 0.7178 -4.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3341 0.7642 -2.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4264 -0.7016 -3.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7348 -0.0607 -1.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3047 1.5874 -1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1305 -1.0890 -2.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6885 0.5396 -3.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0961 -0.5012 -1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5057 1.1755 -1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5434 -1.3124 0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5034 0.1778 2.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7995 2.4782 1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9298 2.3620 -0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1915 1.5291 1.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3856 3.1025 3.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 3.9171 2.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 5.0185 3.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1082 2.5678 4.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8906 3.7555 5.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9204 4.1697 4.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0342 4.0124 6.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6153 6.2834 6.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8081 6.1362 5.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3241 6.0114 3.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8816 7.0778 3.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5935 7.4945 4.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 5.4943 -2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6441 3.7749 -1.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9516 5.2426 -0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7997 5.9821 -1.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7641 3.0246 -0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7189 3.6627 -2.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1908 3.2796 -0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1176 5.0367 -0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5122 5.2203 1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1346 4.5347 1.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1367 2.2346 1.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 3.0699 1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5773 4.2049 3.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2238 3.5348 3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 1.9983 3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3134 1.2930 3.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9022 3.2958 5.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4938 2.5501 5.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4309 0.2932 5.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 1.4579 6.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5002 0.7818 4.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8404 1.9022 5.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8452 0.0792 7.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -1.1129 6.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0091 -1.0989 6.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 0.5582 5.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4591 0.0306 3.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -2.0265 2.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3828 -3.8676 4.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6142 -2.8811 5.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7043 -3.8476 5.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 -2.1443 4.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5385 -2.6455 2.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3688 -4.4637 3.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4579 -4.5047 4.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7687 -2.7478 3.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4107 -3.2040 1.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2554 -4.9216 1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5949 -4.2828 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7184 -3.1201 2.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2031 -6.1048 2.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4052 -4.8438 3.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6402 -4.6147 3.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6451 -4.9168 1.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5180 -6.3164 3.0130 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 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 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 24 50 1 0 50 51 1 0 51 52 2 0 51 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 65 66 1 0 66 67 2 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 81 1 0 3 82 1 0 4 83 1 0 4 84 1 0 5 85 1 0 5 86 1 0 6 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 10 92 1 0 11 93 1 0 11 94 1 0 12 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 15100 1 0 16101 1 0 16102 1 0 17103 1 0 17104 1 0 18105 1 0 18106 1 0 19107 1 0 19108 1 0 23109 1 0 23110 1 0 24111 1 6 25112 1 0 25113 1 0 29114 1 0 29115 1 0 30116 1 0 30117 1 0 31118 1 0 31119 1 0 32120 1 0 32121 1 0 33122 1 0 33123 1 0 34124 1 0 34125 1 0 35126 1 0 35127 1 0 36128 1 0 36129 1 0 37130 1 0 37131 1 0 38132 1 0 38133 1 0 39134 1 0 39135 1 0 40136 1 0 41137 1 0 42138 1 0 42139 1 0 43140 1 0 44141 1 0 45142 1 0 45143 1 0 46144 1 0 46145 1 0 47146 1 0 47147 1 0 48148 1 0 48149 1 0 49150 1 0 49151 1 0 49152 1 0 53153 1 0 53154 1 0 54155 1 0 54156 1 0 55157 1 0 55158 1 0 56159 1 0 56160 1 0 57161 1 0 57162 1 0 58163 1 0 58164 1 0 59165 1 0 59166 1 0 60167 1 0 60168 1 0 61169 1 0 61170 1 0 62171 1 0 62172 1 0 63173 1 0 63174 1 0 64175 1 0 64176 1 0 65177 1 0 65178 1 0 66179 1 0 67180 1 0 68181 1 0 68182 1 0 69183 1 0 69184 1 0 70185 1 0 70186 1 0 71187 1 0 71188 1 0 72189 1 0 72190 1 0 73191 1 0 73192 1 0 74193 1 0 74194 1 0 75195 1 0 75196 1 0 75197 1 0 M END