HMDB0265094 RDKit 3D PA(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/20:3(8Z,11Z,14Z)) 122121 0 0 0 0 0 0 0 0999 V2000 14.5497 1.8540 -1.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2994 0.9329 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5995 -0.3227 -0.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1717 -1.4775 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3546 -1.6752 0.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7499 -2.9351 1.2648 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9136 -1.8484 0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3146 -0.7191 -0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2344 -0.0605 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6680 1.0364 -0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6572 1.7447 -0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8399 1.6214 0.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1374 0.6704 1.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4480 -0.3539 2.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1775 -0.8754 1.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4915 -0.2544 0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2883 0.2785 0.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4608 0.3287 2.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0896 1.7282 2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 2.5261 1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0142 1.9537 1.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 2.6161 0.3316 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6091 0.7445 1.5031 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5012 -0.0009 1.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2275 -0.5432 -0.0825 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0649 0.4521 -1.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1671 1.2580 -0.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4505 2.3493 -2.1493 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5103 3.3498 -1.7999 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8916 1.5058 -3.5318 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0088 3.1954 -2.4847 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9778 -1.3638 -0.0448 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9467 -2.6642 -0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1578 -3.1348 -0.8496 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1107 -3.5494 -0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3626 -2.9057 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7894 -1.7147 -0.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0577 -1.1401 -0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8984 -0.7316 1.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2627 -0.1720 1.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6478 0.9977 1.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6945 1.0696 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6556 -0.0183 0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7672 -0.3721 -1.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8526 -0.2445 -2.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1650 0.2521 -1.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4143 0.7435 -0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2551 0.3614 0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2363 -0.6498 0.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7384 -1.5119 -0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5695 -0.9009 -1.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8514 -0.2853 -1.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6069 0.2967 -2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3852 1.3152 -2.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0815 2.8193 -1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5238 2.0284 -0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2726 1.4479 0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7141 0.8373 0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2135 -0.2392 -1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4562 -2.3570 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5248 -0.9715 1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3651 -2.9844 2.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2892 -2.1689 1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8732 -2.7334 -0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6964 -0.3640 -1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -0.4924 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1464 1.3178 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3452 2.5856 -0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 2.7129 1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7690 1.6777 0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0956 0.8768 2.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9016 -0.9491 3.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4983 -1.1624 2.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4559 -1.9492 1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9899 -0.2439 -0.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8701 0.7203 -0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 -0.2713 1.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9581 -0.1244 2.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4643 1.6893 3.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9895 2.3118 2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9297 2.7979 0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0796 3.5050 1.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5492 -0.8923 1.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4579 0.5039 1.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0339 -1.2033 -0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4261 -0.1898 -2.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8043 0.9642 -1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9008 0.5086 -3.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2048 3.8809 -3.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3147 -3.9784 -1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9258 -4.4598 0.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1901 -3.6623 0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1596 -2.6422 1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0804 -2.0793 -1.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0807 -0.9020 -0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4687 -0.3025 -0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8125 -1.9642 -0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 0.0939 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6916 -1.5936 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0176 -0.9151 1.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0604 0.2398 2.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9895 1.8929 1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8829 2.0083 -0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5114 -0.0859 0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0469 -0.9633 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8508 -0.7730 -1.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7812 -0.5610 -3.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3967 1.0776 -2.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8911 -0.5409 -2.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7676 1.6609 -0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1698 1.0022 1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0899 -1.3157 1.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2126 -0.1253 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4639 -2.3059 -0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9826 -2.1768 -0.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8171 -1.6984 -2.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9998 -0.1276 -2.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5408 0.5858 -0.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4772 -1.0137 -0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3624 1.0317 -1.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1062 -0.4878 -2.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8804 0.9044 -2.8029 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 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 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 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 0 24 84 1 0 25 85 1 6 26 86 1 0 26 87 1 0 30 88 1 0 31 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 48111 1 0 49112 1 0 49113 1 0 50114 1 0 50115 1 0 51116 1 0 51117 1 0 52118 1 0 52119 1 0 53120 1 0 53121 1 0 53122 1 0 M END