HMDB0276869 RDKit 3D PI(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)-OH(18R)) 139139 0 0 0 0 0 0 0 0999 V2000 -9.6876 -1.4394 1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1315 -2.6492 0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0252 -3.7816 1.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8883 -4.3809 1.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5713 -4.0282 0.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0236 -5.2160 0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9033 -5.8086 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0642 -5.3106 1.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9813 -6.4355 2.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8703 -6.9909 3.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -6.5474 2.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8399 -7.6766 1.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4855 -7.4070 1.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7936 -6.5316 0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3778 -5.1010 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9084 -4.3273 -0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5226 -2.8984 -0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -2.1072 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7127 -2.6411 1.1421 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7819 -0.7513 0.3617 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2325 0.0591 1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7234 0.1140 1.5757 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0533 0.9777 2.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3795 0.4238 3.8662 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6464 1.2695 5.2837 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7689 0.7557 6.4009 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 1.0658 5.7321 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3941 2.9329 5.0987 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1411 3.2986 5.5749 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2727 4.3185 6.6899 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2545 3.9875 7.5937 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0868 4.5196 7.3014 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2714 5.8256 7.7562 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 4.1009 6.3886 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6159 2.7857 6.5946 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9365 4.4134 4.9489 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1284 5.7780 4.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3895 3.9573 4.4432 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1343 5.0933 4.0767 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3899 0.6124 0.4036 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2844 -0.1798 -0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4427 -1.3555 0.1986 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0414 0.1836 -1.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9275 1.6162 -1.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7926 1.8950 -3.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7136 3.2678 -3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4319 3.7310 -4.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1136 2.9559 -5.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9303 3.4649 -6.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8623 2.8601 -6.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4733 1.4829 -6.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 1.4575 -6.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6704 0.9691 -5.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4134 0.3026 -4.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4948 0.7732 -2.7312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0409 1.8263 -2.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2669 2.9107 -2.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0662 2.9307 -2.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0797 3.9161 -2.5063 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2055 3.6514 -1.6693 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5133 4.0398 -3.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4384 4.4707 -4.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0747 -1.2489 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6186 -0.5540 0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7461 -1.6312 1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2396 -2.2852 -0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9567 -2.8907 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9185 -4.1741 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8755 -5.2297 2.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9134 -3.5174 1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7598 -3.2956 0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6182 -5.5926 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5991 -6.6666 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5119 -4.4540 2.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0802 -5.0149 1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9208 -6.8395 3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8729 -7.8386 3.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5792 -5.6685 1.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9303 -6.3824 3.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -8.1147 1.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7348 -8.5676 2.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1512 -7.1160 2.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9504 -8.4524 1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -6.9747 -0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9436 -6.5270 0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7202 -4.6519 1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7354 -5.0833 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4169 -4.8004 -1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0114 -4.4668 -0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7704 -2.4073 -1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6128 -2.8691 -0.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8416 -0.3396 2.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7813 1.0845 1.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 -0.9222 1.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1387 0.9941 2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6254 1.9976 2.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 0.1718 6.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6406 2.3740 5.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5713 5.2835 6.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1048 3.1148 8.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1414 3.8661 8.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2963 6.0298 8.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0907 4.7375 6.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1528 2.7727 7.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7226 3.8787 4.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0435 5.9505 3.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3025 3.2423 3.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 4.9431 4.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1451 -0.0194 -1.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -0.4280 -2.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 2.2963 -1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 1.9190 -1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8535 1.7216 -2.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6786 1.1113 -3.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9222 4.0331 -2.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4242 4.8572 -4.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0193 1.8945 -5.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0423 3.0592 -6.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0193 4.5939 -6.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 3.4954 -7.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4232 0.9992 -7.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 0.8591 -6.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3734 1.9702 -6.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4584 1.0345 -4.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -0.7996 -3.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4971 0.0917 -4.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0598 0.0852 -1.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2106 2.0198 -1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1593 2.8481 -3.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8131 3.8995 -2.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4729 1.8695 -2.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8691 3.0437 -1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 4.9234 -2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1758 4.1834 -0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 4.7669 -3.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9753 3.0525 -4.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5454 4.9177 -4.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8826 5.3273 -5.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 3.6498 -5.5097 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 1 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 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 22 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 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 1 0 59 60 1 0 59 61 1 0 61 62 1 0 38 29 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 21 92 1 0 21 93 1 0 22 94 1 1 23 95 1 0 23 96 1 0 27 97 1 0 29 98 1 1 30 99 1 6 31100 1 0 32101 1 1 33102 1 0 34103 1 1 35104 1 0 36105 1 6 37106 1 0 38107 1 6 39108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 53124 1 0 54125 1 0 54126 1 0 55127 1 0 56128 1 0 57129 1 0 57130 1 0 58131 1 0 58132 1 0 59133 1 1 60134 1 0 61135 1 0 61136 1 0 62137 1 0 62138 1 0 62139 1 0 M END