HMDB0268311 RDKit 3D PA(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/i-21:0) 131130 0 0 0 0 0 0 0 0999 V2000 17.7201 5.3271 0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6027 4.4581 0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3453 5.1805 0.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2474 4.8008 0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1362 3.5673 -0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0952 2.7414 0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3006 1.5355 0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6037 0.8844 0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5401 -0.4337 -0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0844 -0.2284 -1.4839 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8009 -1.4643 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5233 -1.8007 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9161 -2.8425 1.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6887 -3.2534 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7876 -2.6296 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6313 -1.9923 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3839 -2.3193 0.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9700 -3.4114 -0.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2769 -4.5153 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0374 -4.0636 1.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9407 -3.6170 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2977 -4.4802 -0.4347 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5844 -2.2802 0.1247 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4992 -1.8648 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1832 -2.0186 -0.0034 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9320 -3.2086 0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8215 -3.4708 1.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2432 -4.8802 2.6224 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0502 -5.1914 3.8499 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -6.1248 1.4854 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3747 -4.5468 3.0078 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1066 -1.8288 -0.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7606 -0.7599 -0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6064 0.0854 0.0756 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8585 -0.6580 -1.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7627 0.4807 -1.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4359 0.5263 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2628 -0.6419 0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4063 -0.9880 -0.6988 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4518 0.1071 -0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5342 -0.4646 -1.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6078 0.5595 -1.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1831 0.9958 -0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3150 1.9945 -0.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4538 1.3750 -1.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9736 0.1500 -0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0802 -0.5351 -1.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3328 0.1467 -1.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2191 0.7328 -0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7064 1.8618 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7893 2.3591 0.9252 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3117 3.4992 1.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0926 3.1007 2.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9651 4.7316 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9736 4.9555 -0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6164 5.2374 0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3849 6.3654 0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9363 4.2987 1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6097 3.4667 0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2749 6.1243 1.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3033 5.3800 0.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7092 3.9360 -1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0587 3.0809 -0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0951 3.1823 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4357 1.0100 1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4626 1.4687 0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8287 0.5052 1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5957 -0.8230 -0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5796 0.6488 -1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3025 -2.0358 1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0102 -1.2693 -0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5378 -3.3312 1.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2664 -4.0538 1.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2941 -1.9397 -0.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4389 -3.4663 -0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8390 -1.1640 1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5934 -1.7685 1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1663 -2.9255 -1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6989 -3.7735 -1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9923 -5.3599 -0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0272 -4.8770 1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3133 -3.2535 1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6277 -4.8725 1.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5363 -2.3924 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -0.7654 -0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0873 -1.0810 0.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7225 -4.1069 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0732 -3.0689 1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3973 -6.1247 0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9679 -4.9268 2.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -1.6281 -1.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3672 -0.4588 -2.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1644 1.4287 -1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 0.5294 -2.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7166 0.7628 0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1135 1.4415 -0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7081 -0.3957 1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6795 -1.5666 0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0735 -1.2215 -1.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9511 -1.8919 -0.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0591 1.0064 -1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9170 0.2886 0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0542 -0.7699 -2.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9932 -1.3725 -1.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1600 1.4389 -2.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3773 0.1565 -2.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4513 0.1515 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3933 1.5768 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7118 2.2468 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9751 2.9011 -1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2745 2.1153 -1.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1516 1.1594 -2.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0565 0.3505 0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1014 -0.6242 -0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3219 -1.4744 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6335 -1.0125 -2.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1882 0.9257 -2.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9797 -0.6433 -2.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1330 1.1269 -1.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6263 -0.1002 -0.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4789 2.7094 -0.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8198 1.5746 0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6883 2.5757 0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9791 1.4921 1.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1612 3.7224 2.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1386 3.3734 2.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1285 3.7441 3.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1458 2.0505 2.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1682 4.6649 -0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9315 5.1172 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6444 5.5608 1.3552 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 1 0 9 11 1 0 11 12 2 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 44 45 1 0 45 46 1 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 52 53 1 0 52 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 24 84 1 0 24 85 1 0 25 86 1 1 26 87 1 0 26 88 1 0 30 89 1 0 31 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 53126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 54131 1 0 M END