HMDB0266792 RDKit 3D PA(20:3(5Z,8Z,11Z)-O(14R,15S)/a-13:0) 109109 0 0 0 0 0 0 0 0999 V2000 14.9667 -2.9417 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6413 -1.8024 0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8714 -1.5536 2.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4462 -1.1790 1.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5811 -0.9137 2.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2025 -0.5355 2.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0557 0.5982 1.6267 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9262 -0.6090 0.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5135 -1.0545 0.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4562 -1.0552 -0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6428 -0.3218 -1.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6633 0.6153 -0.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3275 0.1987 -1.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3402 -0.1710 -0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3980 -0.2366 0.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 0.5879 1.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6923 1.5229 1.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3554 2.0038 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8873 1.7955 -0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0782 2.5843 0.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 2.4892 0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1049 1.7091 1.0188 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9436 3.2611 -0.6235 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2579 3.3106 -1.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 1.9645 -1.4683 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8918 1.4270 -2.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3078 0.1501 -2.9581 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2928 -0.4655 -4.1616 P 0 0 0 0 0 5 0 0 0 0 0 0 0.0359 0.2734 -4.0652 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1067 -2.1280 -3.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9381 -0.1813 -5.7056 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0927 2.0591 -1.9334 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2263 1.4914 -1.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9864 0.8207 -0.3082 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5585 1.6618 -1.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6600 1.0328 -1.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4658 -0.4482 -1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6666 -1.0312 -0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7588 -0.4543 1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9532 -1.0790 1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1872 -0.7600 0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4568 -1.3173 1.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5900 -0.9086 0.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3872 -1.5005 -0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8853 -1.3109 1.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0159 -0.6081 2.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6646 -3.3743 -0.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0985 -2.5715 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6144 -3.6880 0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6249 -0.8922 0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6967 -2.0697 1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8774 -2.4642 2.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2739 -0.6521 2.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5368 -0.3134 1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0236 -2.0754 1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5465 -1.8102 3.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0214 -0.0533 3.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3431 -0.6777 3.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7337 -0.8315 0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8261 -0.4392 1.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3729 -2.1041 0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1779 -1.7511 -1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7275 -0.4425 -2.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8266 0.7835 0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9366 1.6213 -1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1119 0.1891 -2.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3704 -0.4944 -1.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4660 -0.0523 1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2585 -1.3198 1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 0.3835 2.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 1.9752 2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9856 1.7094 -0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3975 3.1805 0.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7284 2.0861 -1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6524 0.7028 -0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4101 3.6389 0.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 2.1440 1.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 3.9964 -1.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9429 3.7760 -0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6931 1.3045 -0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8296 1.3615 -2.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 2.0729 -3.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7302 -2.2437 -2.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7292 -0.7826 -5.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5421 1.2744 -3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7684 2.7588 -1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5677 1.4142 -0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6642 1.3087 -1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5270 -0.7821 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4936 -0.8958 -2.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5421 -0.7372 -0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6599 -2.1335 -0.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8026 -0.6597 1.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8989 0.6565 1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0409 -0.5685 2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7369 -2.1524 1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2494 0.3162 0.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2148 -1.2314 -0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3570 -2.4198 1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5584 -0.9066 2.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6249 0.1986 0.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3766 -1.6423 -1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8361 -2.4791 -0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7626 -0.8839 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7066 -0.9938 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8529 -2.4027 1.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6728 -1.2577 3.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4558 0.3544 2.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0775 -0.3292 2.8743 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 1 0 8 9 1 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 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 8 6 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 8 59 1 0 9 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 0 24 79 1 0 25 80 1 1 26 81 1 0 26 82 1 0 30 83 1 0 31 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 41 98 1 0 42 99 1 0 42100 1 0 43101 1 0 44102 1 0 44103 1 0 44104 1 0 45105 1 0 45106 1 0 46107 1 0 46108 1 0 46109 1 0 M END