HMDB0261248 RDKit 3D PE(18:1(11Z)/18:1(12Z)-2OH(9,10)) 131130 0 0 0 0 0 0 0 0999 V2000 15.3655 2.3335 3.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8865 2.1165 3.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1775 1.5866 4.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7139 1.4006 4.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4854 0.4146 3.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0647 0.1769 3.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4788 0.4238 1.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2599 0.9702 0.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4294 0.1535 -0.4853 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2840 1.0250 -1.2999 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2560 -0.0289 -1.3798 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7997 -0.5478 -2.6034 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2179 -1.0172 -0.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1617 -1.0513 -2.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4496 0.2401 -2.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4958 0.0834 -3.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -0.9681 -3.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5649 -0.6827 -2.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6056 -1.8566 -1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8481 -2.0769 -3.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3086 -2.6974 -4.2061 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5426 -1.6122 -3.3393 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1636 -1.8518 -4.5574 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6521 -0.5587 -5.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6014 0.1203 -4.4181 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5954 0.6376 -3.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5718 0.5141 -2.4477 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8404 1.3129 -2.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8491 1.7395 -1.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 2.4093 -1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2647 2.7874 0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3541 3.5227 1.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7479 3.0263 1.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4068 2.9423 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7941 2.4336 -0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9316 3.0778 0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0480 3.1354 1.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0721 2.5394 2.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1133 1.8075 1.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1163 0.3378 2.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4423 0.3073 3.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4775 -0.9954 4.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4326 -2.0065 3.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1688 -2.5091 2.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4299 -2.6726 -4.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9489 -3.8240 -3.6214 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1247 -4.8972 -3.0969 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9593 -6.1950 -3.8874 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6924 -4.3582 -3.3076 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7594 -5.2860 -1.4897 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4554 -4.4987 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0825 -4.8322 0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6689 -4.6210 1.0899 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8383 1.3659 4.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4758 3.0567 4.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8343 2.6745 2.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8980 1.3136 2.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4129 3.0248 3.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6518 0.6326 5.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2739 2.3474 5.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1968 1.0234 5.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2983 2.4059 4.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1264 0.5823 2.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8800 -0.5781 3.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4657 -0.2371 3.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4228 0.1951 1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6517 1.8901 0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2103 1.4816 1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9880 -0.7886 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7244 1.8648 -1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8428 0.9392 -1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3490 -1.3402 -2.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6881 -2.0480 -1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 -0.9068 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4504 -1.8825 -1.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7370 -1.3239 -3.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9171 0.4942 -1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0888 1.0980 -2.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1192 -0.1935 -4.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0470 1.0801 -3.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 -0.9767 -4.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9562 -1.9547 -3.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9972 0.2566 -2.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0797 -0.5519 -1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 -2.7508 -1.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 -1.7326 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4247 -2.3912 -5.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 0.1043 -5.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1061 -0.8123 -6.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6722 0.6159 -2.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9933 2.2504 -3.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0874 2.4992 -1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7318 0.9003 -0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9246 1.5573 -1.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3634 3.1927 -1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2967 3.3503 0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1677 1.7989 0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0470 3.8970 2.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4107 4.5396 0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3119 3.6634 1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7126 2.0182 1.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3599 3.9424 -0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7878 2.2588 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7866 1.3020 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0205 2.4580 -1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8553 4.2036 -0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8798 2.8078 -0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3769 3.6574 2.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1318 2.6149 3.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1085 2.2510 2.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1139 1.7613 0.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8330 -0.2152 1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0799 -0.0130 2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7544 0.9681 4.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4479 0.8380 3.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6704 -0.8473 5.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4422 -1.4799 4.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4948 -1.6139 3.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4297 -2.8777 4.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1346 -2.3155 2.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9439 -2.1606 1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2250 -3.6575 2.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 -2.8530 -5.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1064 -2.0832 -3.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8422 -3.4052 -3.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5383 -4.7646 -0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3607 -3.4286 -0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6886 -4.1689 1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4024 -5.8778 1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2026 -4.0554 0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1363 -5.4954 1.1952 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 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 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 2 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 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 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 1 10 70 1 0 11 71 1 6 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 23 87 1 6 24 88 1 0 24 89 1 0 28 90 1 0 28 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 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 49125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 M END