HMDB0268451 RDKit 3D PA(i-24:0/20:3(5Z,8Z,14Z)-O(11S,12R)) 142142 0 0 0 0 0 0 0 0999 V2000 17.5874 1.3373 1.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4444 0.3514 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8960 -1.0238 0.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4240 -1.2360 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5319 -1.0047 -1.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0335 0.3446 -1.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8346 0.8116 -1.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5649 0.1185 -1.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3936 -1.3146 -1.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7925 -1.9152 -0.4017 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3853 -1.9617 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3875 -1.3773 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3989 -0.4612 -0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0980 -0.7292 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5248 -1.9063 0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6173 -1.8494 1.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2325 -0.8209 1.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6003 0.5620 1.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3895 1.4503 1.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3661 1.3865 2.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2133 2.2384 2.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2377 3.4766 2.4166 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0423 1.7215 1.6626 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9433 2.5824 1.3920 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7114 2.0672 2.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4146 0.7867 1.5603 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6767 0.0650 2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3615 0.5863 2.9591 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0352 -1.2707 1.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1809 -1.8175 2.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6037 -3.1890 1.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0866 -3.2033 0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3147 -2.3350 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4129 -2.8645 1.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7161 -2.1606 1.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3661 -2.1448 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6848 -1.4216 -0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4699 -1.3137 -1.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8326 -0.5712 -2.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4071 0.8178 -2.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3331 1.9318 -2.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0601 1.8347 -0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9389 3.0889 -0.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6757 3.0035 0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6095 1.8432 0.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7036 1.8748 -0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6417 0.6936 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2819 0.6673 1.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2403 -0.5032 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3397 -0.4000 0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5542 -1.8285 1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 2.5125 -0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8092 2.9233 -0.8212 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5168 2.8276 -2.4763 P 0 0 0 0 0 5 0 0 0 0 0 0 3.8040 3.2486 -3.1741 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 1.2136 -2.9221 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2553 3.7917 -2.9914 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7810 1.8448 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2611 2.1094 0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5134 0.8173 0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5375 0.6509 0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1806 0.2911 2.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0348 -1.7372 1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7101 -1.3657 1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3945 -0.6394 -0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8328 -2.3018 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2895 -1.1531 -2.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8460 -1.8416 -1.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8520 1.1523 -1.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7633 1.9725 -1.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9069 0.6849 -1.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0424 0.3856 -2.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7140 -1.9276 -2.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1340 -3.0471 -1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9984 -2.1633 0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9374 -0.6960 0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6816 0.4914 -0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3955 0.0039 -0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8721 -2.4391 -0.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2966 -2.7385 0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2027 -2.8784 1.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5093 -1.0139 2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4162 0.8585 1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8946 1.0004 2.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7840 2.4699 1.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 1.0786 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0034 0.3154 2.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7974 1.5559 3.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2229 3.5948 1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1075 2.7992 1.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9074 2.0555 3.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2772 -1.2002 0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1274 -1.9287 1.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0071 -1.1072 2.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8014 -1.9654 3.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3002 -3.6207 2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 -3.8155 1.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3146 -2.9569 -0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4234 -4.2508 0.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5699 -2.4552 -0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0859 -1.2858 0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0522 -2.7222 2.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5643 -3.9615 0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4233 -2.7214 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6617 -1.1447 1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7523 -1.7483 -1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6065 -3.2077 -0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5365 -0.4145 0.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3146 -1.9799 0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4929 -1.0292 -1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6130 -2.4309 -1.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9904 -1.1524 -3.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6038 -0.5735 -3.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5300 0.8971 -1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8640 1.1197 -3.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7336 2.8960 -2.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0895 2.0336 -2.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7967 1.0316 -0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3476 1.8156 -0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6068 3.2072 -1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2511 3.9493 -0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2497 3.9276 0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9316 2.9160 1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1107 0.8550 0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1244 1.9613 1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3354 2.7817 -0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2100 1.8027 -1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0726 -0.2304 -0.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4165 0.7608 -0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8563 1.5864 1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5153 0.5009 1.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7115 -0.4436 2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9689 -0.5513 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1526 -1.1028 0.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8024 0.6145 0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4890 -1.7663 0.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0718 -2.4511 0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5371 -2.4135 2.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4027 1.4797 -0.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8563 3.1891 -0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7305 0.9533 -3.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5427 4.6274 -3.4276 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 10 11 1 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 2 0 27 29 1 0 29 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 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 24 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 11 9 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 1 25 90 1 0 25 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 50133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 56141 1 0 57142 1 0 M END