HMDB0289727 RDKit 3D PC(P-18:1(11Z)/PGD1) 142142 0 0 0 0 0 0 0 0999 V2000 -5.0219 -5.6499 7.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8526 -5.2766 6.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3456 -3.8819 6.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2284 -3.4402 4.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7835 -3.4641 4.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6634 -3.0181 2.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4068 -3.8902 1.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8837 -4.5825 0.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4089 -4.5514 0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8391 -5.9075 0.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -6.1555 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -5.5528 1.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7709 -4.0777 1.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0055 -3.6662 2.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0593 -2.1681 2.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1794 -1.5048 0.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2428 -0.0113 0.9958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3453 0.7704 0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2958 2.1421 0.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8213 2.8873 -0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6761 4.3863 -0.3178 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5597 4.8482 0.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4923 6.2271 0.9353 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5005 6.6996 2.1838 P 0 0 0 0 0 5 0 0 0 0 0 0 4.9237 6.3291 1.8012 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4306 8.3951 2.3405 O 0 0 0 0 0 1 0 0 0 0 0 0 3.1207 5.9564 3.6542 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 5.5492 4.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1173 4.8771 5.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 3.6973 5.5371 N 0 0 0 0 0 4 0 0 0 0 0 0 3.4991 2.8609 4.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9161 4.0372 5.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6971 2.8969 6.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3239 4.6802 -0.1582 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4415 5.3953 -1.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1246 5.8140 -2.1038 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 5.6374 -0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7349 4.5031 -1.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5346 4.4605 -2.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3311 3.3373 -3.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1987 3.2539 -4.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8536 3.0519 -5.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0985 1.8199 -5.0852 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7587 0.5354 -5.4033 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0974 0.4743 -5.0371 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5251 0.3300 -6.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3503 1.1621 -7.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1516 1.3090 -8.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1257 1.7957 -5.9542 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2726 1.0433 -5.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3872 0.4082 -4.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6576 -0.2974 -3.9801 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6227 0.6848 -3.7767 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -1.2122 -2.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5047 -2.2862 -2.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8147 -3.1867 -4.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1556 -3.8642 -3.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4824 -4.7718 -5.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9367 -5.2420 8.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0571 -6.7724 7.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1263 -5.2848 8.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7816 -5.3300 6.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4731 -6.0018 5.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4087 -3.7862 6.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7217 -3.2021 6.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6374 -2.4169 4.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8607 -4.0811 3.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3889 -4.4784 4.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2147 -2.7203 4.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2099 -2.0165 2.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6388 -2.7668 2.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5194 -3.9896 1.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4874 -5.2336 0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9586 -3.7079 1.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3533 -4.3303 -0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0828 -6.3328 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4449 -6.5965 0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2537 -7.2923 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2056 -6.0109 -0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6224 -6.0397 0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -5.9116 2.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0602 -3.6502 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -3.6480 0.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8965 -4.0141 3.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -4.0948 1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 -1.8242 2.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0953 -1.7991 2.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1181 -1.8075 0.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3614 -1.7495 0.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0466 0.3761 1.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5425 0.3012 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3284 2.6478 -1.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8999 2.6565 -0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0226 4.8487 -1.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 4.4871 0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2566 4.4178 1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8811 6.4949 4.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 4.9702 3.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1429 4.6066 5.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6899 5.5664 6.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4791 3.0155 3.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4218 1.7672 4.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6276 3.0382 3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 3.3831 6.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8222 5.0933 6.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 3.8097 4.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6567 2.4288 6.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8872 2.1788 6.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8668 3.6457 7.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0323 5.7159 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1448 6.5972 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7942 4.7757 -1.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5105 3.5493 -0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 4.3414 -3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8703 5.4633 -3.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4114 3.5648 -3.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0134 2.4069 -2.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9856 2.5804 -5.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5384 4.2707 -5.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 3.9256 -5.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9285 3.0436 -6.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7363 1.8906 -4.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2647 -0.2791 -4.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1245 0.2906 -4.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4049 0.5307 -7.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2046 -0.7395 -7.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 2.8755 -6.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1716 1.0029 -6.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5798 0.4041 -3.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0098 -0.9064 -4.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 0.3796 -3.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2511 -0.5499 -1.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4856 -1.6628 -2.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4664 -1.9184 -3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5662 -2.9500 -2.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0543 -3.9812 -4.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8944 -2.5915 -5.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9808 -3.1262 -3.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 -4.4947 -3.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8729 -4.4679 -5.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2722 -5.8401 -4.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5536 -4.7371 -5.4218 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 1 0 7 8 2 0 8 9 1 0 9 10 1 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 2 3 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 21 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 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 44 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 49 43 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 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 18 91 1 0 20 92 1 0 20 93 1 0 21 94 1 6 22 95 1 0 22 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 31101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 33109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 1 44123 1 1 45124 1 0 46125 1 0 46126 1 0 49127 1 6 50128 1 0 51129 1 0 52130 1 6 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 58142 1 0 M CHG 2 26 -1 30 1 M END