HMDB0264444 RDKit 3D PA(19:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) 128127 0 0 0 0 0 0 0 0999 V2000 17.8352 2.4618 2.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9814 1.7111 0.8613 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8179 1.9111 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5106 1.4651 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5222 -0.0148 0.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2392 -0.4455 1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5032 -1.3689 0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8224 -2.0944 -0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7373 -1.8708 -1.3853 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5659 -0.5461 -1.7278 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4509 -2.4466 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2703 -1.9795 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0655 -2.6422 -0.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8294 -2.2007 -1.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 -2.8699 -0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4274 -2.5279 -1.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1238 -1.3695 -1.8739 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7260 -0.2301 -1.1762 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2479 -1.6294 -3.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8897 -2.1367 -2.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -1.4226 -2.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7995 -1.2261 -0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -1.6998 0.0526 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7928 -0.3259 -0.3417 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6771 -0.0608 1.0111 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6531 -0.4164 1.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 0.3083 1.0695 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1778 0.3813 -0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6579 -0.2925 -1.0945 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3287 1.2685 -0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2234 1.4144 0.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7741 0.0603 1.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6235 -0.0120 2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8196 0.7725 2.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0135 0.6817 1.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8205 1.1208 0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9419 1.1183 -0.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1197 1.9591 -0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0031 1.8542 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5684 0.4990 0.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3832 0.0136 -0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5363 0.9056 -0.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3867 0.3942 -1.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9608 -0.9593 -1.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8586 -1.0068 -0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4125 -2.4139 -0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2111 -2.7678 -1.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0597 1.3795 1.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9361 1.6303 2.7106 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3966 3.2562 2.9746 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7104 3.8044 4.2015 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0802 3.3177 3.1993 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0311 4.1732 1.5967 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8257 2.7952 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4576 3.4025 2.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2441 1.8280 2.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8898 2.1000 0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1788 0.6225 1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0318 1.3180 -0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7513 2.9720 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7389 1.6032 -0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2055 2.0844 1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9494 -0.6320 0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2653 -0.0733 1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8485 0.0109 2.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5501 -1.6443 1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7575 -3.1952 -0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7790 -1.9284 -0.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0800 -2.3955 -2.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1967 -0.5359 -2.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4466 -3.3365 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1948 -1.1133 -1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 -3.5101 -0.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8552 -1.3275 -1.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8077 -3.7512 -0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1488 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1172 -1.0408 -2.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 0.5965 -1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8174 -2.2752 -3.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2027 -0.6450 -3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9117 -3.1853 -2.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5552 -2.4510 -3.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8064 -1.9586 -2.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -0.4292 -2.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4505 -0.6731 1.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -1.5264 1.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6587 -0.1963 2.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 0.8255 -1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0056 2.2826 -0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9471 2.1951 0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5524 1.7426 1.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1564 -0.4568 0.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8186 -0.5576 1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9651 -0.0117 3.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9698 -1.1238 2.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5747 1.8950 2.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1417 0.5335 3.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8488 1.1460 2.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3413 -0.4333 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0373 0.4505 -0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2888 2.1326 0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4596 1.3722 -1.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2957 0.0556 -0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8038 1.6974 -1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9111 3.0593 -0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5261 2.2759 1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9496 2.5094 0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1831 0.5981 1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7087 -0.1905 1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6848 -1.0397 -0.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7718 -0.0716 -1.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1412 1.1368 0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1325 1.8891 -0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8556 0.4042 -2.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2553 1.1113 -1.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6304 -1.1686 -2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2224 -1.7733 -1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7117 -0.3311 -0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2726 -0.7481 0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9868 -2.5532 0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5411 -3.1006 -0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4693 -3.0149 -2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7638 -3.6898 -1.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8522 -1.9095 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 1.5768 1.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3832 2.0744 0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5418 2.7631 2.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0579 4.3485 1.5064 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 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 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 25 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 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 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 6 10 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 16 76 1 0 17 77 1 6 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 25 85 1 1 26 86 1 0 26 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 52127 1 0 53128 1 0 M END