HMDB0268079 RDKit 3D PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/i-19:0) 129128 0 0 0 0 0 0 0 0999 V2000 17.2564 2.1593 -0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4637 1.1273 -1.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7387 -0.1688 -1.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2486 -0.1115 -1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5945 0.6312 -0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7605 -0.0083 1.1359 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1311 0.8511 2.0997 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9446 -1.2696 1.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5981 -1.1206 0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7857 -2.3080 1.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4700 -2.2475 0.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8818 -0.9545 0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2838 -0.0400 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5224 1.2195 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1947 1.0354 0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1970 2.0506 0.2464 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5037 3.1722 -0.4589 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8941 1.3913 -0.2894 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8509 2.2280 -0.0663 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7665 0.0508 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5533 -0.6823 0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1873 -0.8861 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0007 -1.7733 -1.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 -2.6363 -0.3822 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8839 -1.8081 -2.0967 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1411 -2.8332 -1.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5884 -2.3547 -0.3252 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1740 -3.2509 0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5028 -3.6244 0.3856 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1219 -4.4857 1.7564 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.5869 -4.1604 1.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8669 -6.1277 1.6036 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3941 -3.9525 3.1662 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -1.2062 -0.4691 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1914 0.0661 -0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0497 0.3241 0.3575 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2756 1.1196 -0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4691 0.4819 0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 1.3608 0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2319 1.7032 -0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4413 2.5324 -0.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7512 2.0583 -0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1998 1.2616 0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8798 -0.1940 0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3249 -1.0833 -0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6496 -1.5671 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8696 -0.7756 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4570 -0.1664 0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6715 0.7483 0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7850 -0.0235 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9616 0.7940 -0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6003 1.5822 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8278 2.6669 0.9188 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9365 2.1136 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2903 2.6291 -0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9611 1.6774 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6506 3.0375 -0.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5734 0.9041 -1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1840 1.5699 -2.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2049 -0.8917 -1.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0215 -0.6411 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9815 0.3557 -2.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8238 -1.1642 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8087 1.7160 -0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4598 0.6075 -0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7768 -0.2116 1.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5591 1.4682 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3458 -2.2113 1.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2373 -0.1415 0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2212 -3.3099 1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8634 -3.1265 0.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5739 -1.5787 0.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4277 0.6181 -0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8926 2.1537 -0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9008 0.0304 0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9311 2.4392 1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1081 3.1536 -1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0719 1.2719 -1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3703 2.1514 0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5983 -0.6205 -0.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9878 0.0440 1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6294 -1.7005 0.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6755 -0.2020 0.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 0.1186 -1.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9965 -1.2575 -2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9842 -2.6209 -2.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2486 -3.8099 -1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3251 -1.8336 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6316 -4.2197 0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1858 -2.8064 1.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 -6.4071 1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 -2.9680 3.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5173 1.2740 -1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9389 1.9983 0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7175 -0.5033 -0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1786 0.2638 1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3756 1.0541 1.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2986 2.3813 0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4638 2.2444 -1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4622 0.7451 -1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1633 3.4175 -0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4913 3.1414 -1.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3821 3.0394 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2323 1.6572 -1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2002 1.5156 1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5721 1.6986 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4575 -0.5549 1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8360 -0.4009 1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6751 -2.0550 -0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8358 -0.7383 -1.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5168 -2.2261 -1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9085 -2.4144 0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6287 -1.4336 -1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5950 0.0057 -1.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9706 -1.0255 1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7955 0.2904 1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9296 1.0894 1.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3020 1.5643 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4586 -0.6852 -1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1372 -0.7797 0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5425 1.5823 -1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7179 0.1949 -1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9365 0.8808 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5549 2.4193 1.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9392 2.9682 0.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4809 3.6149 0.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8310 3.1926 -0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7817 1.8456 0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1789 1.6055 -1.2698 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 27 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 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 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 1 7 67 1 0 8 68 1 0 9 69 1 0 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 1 17 77 1 0 18 78 1 6 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 26 86 1 0 26 87 1 0 27 88 1 1 28 89 1 0 28 90 1 0 32 91 1 0 33 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 53124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 54129 1 0 M END