HMDB0012410 RDKit 3D PS(18:3(9Z,12Z,15Z)/16:1(9Z)) 122121 0 0 0 0 0 0 0 0999 V2000 -8.1299 -5.2764 4.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6259 -5.6733 2.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9786 -5.1539 2.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3264 -4.3346 1.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3744 -3.7857 0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4181 -2.3202 0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7932 -1.5065 -0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2096 -1.9506 -1.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4241 -1.5512 -2.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3342 -0.8895 -2.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5081 -0.3206 -1.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0774 -0.8975 -1.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2334 -0.3017 -0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1732 1.1863 -0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6042 1.5441 -2.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5763 3.0376 -2.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6777 3.6473 -1.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2758 3.1475 -1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8845 2.0100 -1.3441 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 3.9608 -2.3048 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0565 3.7646 -2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8023 3.4587 -1.4057 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5932 4.5412 -0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 4.6723 -0.0025 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9152 5.9325 1.1111 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5107 5.5628 2.4983 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5517 6.4150 1.1586 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0422 7.2878 0.5953 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0822 8.2332 1.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6873 9.4991 1.2149 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1379 10.1083 0.0333 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1231 9.1874 1.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7524 8.6569 1.9588 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 9.4712 -0.1614 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1353 3.3198 -1.8059 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7744 2.0909 -1.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1008 1.0931 -1.5679 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1896 2.0899 -2.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6825 0.7223 -2.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7145 -0.1120 -1.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -1.4628 -1.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3900 -2.4324 -0.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3719 -2.0318 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7416 -1.7589 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7164 -2.6324 -0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8382 -3.8970 -0.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8571 -4.9148 -0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4222 -6.0674 0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9779 -5.8553 1.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1626 -4.9710 1.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6777 -4.8958 3.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0623 -6.2691 3.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1163 -4.1738 4.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0895 -5.6903 4.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7562 -5.6878 4.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6664 -6.7999 2.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9327 -5.4111 1.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7834 -5.4945 3.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3975 -4.0349 1.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3279 -4.1625 0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6535 -4.1698 -0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1117 -1.9264 1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8353 -0.4000 -0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3095 -1.5632 -1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4093 -3.0527 -1.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8833 -1.9008 -3.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9322 -0.7042 -3.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7901 -0.3910 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4434 0.7912 -2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1264 -2.0013 -1.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6104 -0.7832 -2.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1905 -0.6864 -0.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6507 -0.5159 0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1411 1.7058 -0.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4756 1.6083 -0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6433 1.0446 -2.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2522 1.1717 -3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 3.3420 -3.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6176 3.4638 -2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6383 4.7595 -1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9916 3.5042 -0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3196 4.6754 -3.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0999 2.8552 -3.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3485 2.5154 -1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8729 5.5040 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2808 4.4556 0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7734 6.8779 2.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3801 7.8387 2.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1102 8.5693 1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5658 10.2104 2.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0484 9.4454 -0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 10.8245 -0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6187 8.9649 -1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2389 2.7628 -3.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 2.5769 -1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 0.7021 -3.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9632 0.2466 -3.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 -0.2866 -0.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4131 0.3812 -0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1346 -1.3115 -2.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4404 -1.8611 -2.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3822 -2.4370 -0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4737 -3.4281 -1.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2078 -2.6857 1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9518 -1.0249 0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6900 -0.8280 -0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2435 -1.2175 0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6965 -2.0759 -0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8036 -4.2256 -1.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0164 -4.4738 0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4760 -5.3408 -1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2184 -6.5194 -0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -6.8396 0.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 -5.4646 2.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2928 -6.8563 2.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9530 -5.3176 1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9190 -3.9266 1.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9492 -4.4031 3.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5892 -4.2766 3.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2328 -6.9558 2.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3134 -6.6965 4.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0014 -6.1737 4.2361 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 2 0 32 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 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 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 21 82 1 0 21 83 1 0 22 84 1 1 23 85 1 0 23 86 1 0 27 87 1 0 29 88 1 0 29 89 1 0 30 90 1 1 31 91 1 0 31 92 1 0 34 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 46109 1 0 47110 1 0 47111 1 0 48112 1 0 48113 1 0 49114 1 0 49115 1 0 50116 1 0 50117 1 0 51118 1 0 51119 1 0 52120 1 0 52121 1 0 52122 1 0 M END