HMDB0278700 RDKit 3D PIP(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/16:2(9Z,12Z)) 142142 0 0 0 0 0 0 0 0999 V2000 1.1642 6.1053 5.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 5.1731 4.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2099 4.7920 5.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5132 3.5871 5.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8003 2.3911 5.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1614 1.7320 6.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8696 1.5291 6.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1303 1.9568 5.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0702 2.8754 6.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 2.5997 6.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0066 1.4108 5.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 1.8575 4.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0104 1.5277 3.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0462 0.7199 2.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1912 1.1646 1.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0332 2.3244 1.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7204 3.4906 1.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5885 4.6426 1.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7563 5.0755 0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7465 4.2215 -0.3292 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5871 5.4982 -1.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3972 4.4157 -1.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5997 3.3919 -2.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1619 3.6725 -3.6774 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 2.1344 -2.0525 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 1.3288 -2.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0222 0.0142 -2.4226 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2253 -0.6260 -3.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.8067 -3.2326 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2707 -2.4432 -4.5382 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3303 -3.2356 -5.3958 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4741 -3.4152 -3.9122 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -1.1710 -5.4102 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3525 -1.1129 -5.2736 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9827 -1.1640 -6.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5119 -2.2971 -7.2809 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5581 0.0444 -7.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5584 -0.3077 -8.3347 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0254 1.1701 -6.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1518 2.3303 -7.3466 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8263 1.3082 -5.3123 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5153 2.4695 -4.6017 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7657 3.5587 -4.4763 P 0 0 0 0 0 5 0 0 0 0 0 0 5.9258 3.2580 -5.3643 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3581 3.4928 -2.8715 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2801 5.1546 -4.7486 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7887 0.0888 -4.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0665 -0.1768 -3.9538 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0195 -0.8774 -2.0277 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8676 -1.7064 -0.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7602 -1.5897 -0.3099 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9145 -2.6189 -0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1346 -3.8412 -1.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9818 -4.7771 -1.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4898 -5.3111 -0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3969 -6.3243 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -6.9329 0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9079 -5.8620 1.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4146 -6.5571 2.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1069 -6.2592 4.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2593 -5.2598 4.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5319 -4.3342 3.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3253 -3.0282 3.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -2.3221 4.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -1.5585 3.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0374 -0.5231 3.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8342 5.6768 6.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6641 7.0566 5.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 6.1596 4.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7272 4.3898 3.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7376 5.8161 3.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7829 5.6331 5.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3033 3.4465 6.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6396 1.6906 4.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1815 2.6510 4.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7954 1.3645 7.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 1.0314 7.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5553 1.0620 5.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3277 2.5762 4.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 3.7791 6.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0102 3.3291 6.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3426 0.6746 5.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 0.9599 6.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8598 2.5044 5.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8803 1.8985 2.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3885 0.1104 3.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6751 -0.1470 2.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5494 0.3253 1.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2874 2.3570 0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4239 3.4615 2.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 5.4637 1.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2695 6.0652 0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0457 4.7426 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8197 5.8021 -1.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 6.4289 -0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1472 3.9789 -1.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0356 4.9041 -2.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5198 1.9751 -3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9256 1.2699 -3.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2027 0.1093 -1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9419 -0.7908 -4.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5352 0.1338 -3.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8916 -3.0465 -3.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6484 -2.0414 -4.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0923 -1.2636 -6.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2047 -3.0243 -7.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4543 0.3777 -8.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0921 0.5313 -8.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9604 0.9884 -6.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2191 2.6367 -7.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8983 1.4648 -5.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3240 3.6826 -2.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3349 5.2447 -4.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0854 0.1472 -3.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0732 -0.0530 -2.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6099 -2.9758 0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8645 -2.0464 -0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4366 -3.4940 -2.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 -4.4278 -0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1376 -4.2035 -1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2647 -5.6134 -2.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3367 -5.7464 0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1351 -4.4370 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -7.1157 -1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4242 -5.7733 -0.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6537 -7.3451 1.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8491 -7.7616 0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7597 -5.5671 1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -5.0729 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1373 -7.4282 2.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -6.9215 4.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5128 -5.8552 5.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8406 -4.7783 5.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3797 -4.6908 3.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 -2.4255 3.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1623 -1.5039 5.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2051 -2.8932 5.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3147 -2.2049 3.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3511 -0.9981 4.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9854 0.4764 3.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 -0.4090 2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0738 -0.8951 2.5919 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 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 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 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 41 47 1 0 47 48 1 0 27 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 1 0 47 34 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 18 91 1 0 19 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 22 96 1 0 22 97 1 0 26 98 1 0 26 99 1 0 27100 1 1 28101 1 0 28102 1 0 32103 1 0 34104 1 1 35105 1 0 36106 1 0 37107 1 0 38108 1 0 39109 1 0 40110 1 0 41111 1 6 45112 1 0 46113 1 0 47114 1 0 48115 1 0 52116 1 0 52117 1 0 53118 1 0 53119 1 0 54120 1 0 54121 1 0 55122 1 0 55123 1 0 56124 1 0 56125 1 0 57126 1 0 57127 1 0 58128 1 0 58129 1 0 59130 1 0 60131 1 0 61132 1 0 61133 1 0 62134 1 0 63135 1 0 64136 1 0 64137 1 0 65138 1 0 65139 1 0 66140 1 0 66141 1 0 66142 1 0 M END