HMDB0053596 RDKit 3D TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -4.3592 0.5025 2.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8856 1.7852 2.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3603 1.4228 4.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8752 1.9317 5.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7996 2.9291 5.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2047 4.1642 5.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6820 4.6241 6.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6219 4.0884 7.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9851 2.8182 7.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 2.7470 7.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2276 3.8678 7.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3495 3.6153 8.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 3.5413 7.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0317 3.7102 6.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 2.4298 5.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0103 2.6089 4.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6713 1.4532 3.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 1.8551 2.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3219 0.7989 1.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 1.2751 -0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0219 1.9637 -0.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0203 0.8911 -0.7947 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5632 1.1767 -2.0334 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2060 1.8631 -2.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1699 1.1331 -1.4788 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0286 0.5748 -0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9543 0.7081 0.5868 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -0.1740 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -0.8738 1.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1592 -1.9168 1.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3835 -2.5712 2.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1388 -3.1501 3.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4412 -2.7598 4.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -1.7513 5.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3541 -1.9895 6.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3342 -3.0378 7.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0549 -4.3933 6.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1036 -5.2777 7.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7187 -6.0162 6.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4355 -6.1488 4.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6391 -5.7585 4.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2091 -6.6409 3.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7657 -8.0239 3.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3724 -8.3189 1.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3994 -0.0380 -2.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7618 0.4393 -4.1037 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1112 1.3672 -5.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 1.9380 -4.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2164 1.7346 -6.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8695 2.7989 -6.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 3.2371 -8.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6725 3.7892 -7.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3081 4.2718 -8.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5221 4.8067 -7.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6282 5.3290 -8.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3039 4.4118 -9.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8150 3.1506 -9.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6177 2.4002 -9.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3534 1.2177 -10.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1697 0.4491 -10.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4992 -0.7881 -9.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0451 -1.0808 -8.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1632 -0.1874 -7.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7199 0.2615 -6.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9521 -0.9552 -5.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4527 -0.4907 -3.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 -1.6562 -2.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7775 -0.1174 2.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2252 -0.1124 1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7148 0.7666 1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1028 2.5059 2.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7468 2.0848 2.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1833 0.6745 4.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3095 1.5818 6.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6537 3.2806 4.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 2.4738 5.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0371 4.7113 5.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1301 5.5915 7.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8831 4.8864 8.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1173 3.9070 8.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5779 1.8541 7.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 1.7484 7.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1723 4.8644 7.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6342 4.0133 6.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1284 3.4812 9.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3606 3.3465 8.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3097 4.0464 5.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8465 4.5346 6.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 1.5758 5.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6220 2.2850 6.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7434 3.4713 4.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0776 2.9377 3.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6984 1.3404 4.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1434 0.5045 3.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7767 2.2862 1.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4565 2.7370 2.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8683 -0.1958 1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4016 0.7340 1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2572 1.8607 -2.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9156 2.1687 -3.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2658 2.8449 -1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4541 -0.9525 -0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0579 0.4898 0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8323 -1.3322 1.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -0.1211 2.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7316 -2.7402 0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1208 -1.5480 1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0705 -3.4531 2.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9479 -1.9003 3.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3221 -3.9331 2.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4088 -3.2619 4.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9089 -1.2105 4.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7421 -0.8547 5.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7072 -1.0554 7.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -2.9187 8.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3518 -4.5840 5.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9322 -4.6999 7.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4161 -5.2615 8.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5655 -6.6235 6.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1291 -7.1994 4.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 -5.5630 4.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0272 -4.7200 4.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0979 -6.2612 2.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7399 -8.6429 3.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 -8.4631 3.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2874 -8.5471 1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9971 -9.0888 1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5517 -7.3789 1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8031 -0.8218 -2.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 -0.4132 -3.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0289 0.8619 -6.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2192 2.0706 -5.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1387 3.6808 -6.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 2.3813 -7.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7714 2.4259 -8.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4523 4.0649 -8.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0852 3.0446 -6.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8603 4.6288 -6.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5747 3.4355 -9.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1568 5.0747 -9.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 4.0216 -7.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1773 5.6459 -7.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 5.7854 -8.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3149 6.2335 -9.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6563 4.1566 -10.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1624 4.9842 -10.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9151 2.6431 -8.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 3.5144 -8.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5518 2.9025 -10.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0604 0.7230 -11.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3207 1.0309 -9.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7701 0.0698 -11.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1663 -1.4879 -9.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3554 -2.0544 -7.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2747 -0.8472 -7.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6727 0.6197 -7.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5784 0.9196 -6.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8964 0.8379 -5.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0279 -1.5365 -5.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6919 -1.6544 -5.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3281 0.1514 -3.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6147 0.1373 -3.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8048 -1.8125 -2.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 -2.5265 -3.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3518 -1.3386 -1.9256 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 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 2 0 26 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 23 45 1 0 45 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 1 0 53 54 1 0 54 55 1 0 55 56 1 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 1 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 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 6 24100 1 0 24101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END