HMDB0285951 RDKit 3D PC(16:0/18:1(12Z)-O(9S,10R)) 133133 0 0 0 0 0 0 0 0999 V2000 4.2398 2.1113 8.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0148 1.2864 8.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6122 1.1725 6.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3154 2.4871 6.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9026 2.3582 4.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 1.7415 4.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9556 0.6116 3.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7465 -0.1796 3.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7331 -1.5813 3.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0731 -1.7447 5.2066 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6641 -2.5635 4.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1252 -2.6000 4.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 -2.5118 2.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5889 -3.5957 1.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1815 -3.8548 1.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0952 -4.8427 0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6808 -4.5107 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1158 -3.4201 -1.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1706 -2.0548 -1.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8384 -1.6243 -0.4365 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 -1.0571 -1.9988 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3585 0.2524 -1.5290 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0378 0.8600 -1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3242 0.0961 -0.2723 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1814 -1.1396 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0134 -1.6313 -1.6699 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9249 -1.9601 0.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -3.2762 -0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2901 -3.1225 -1.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5998 -2.4522 -0.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3149 -3.3083 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5958 -2.8558 0.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6967 -2.4383 -0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6141 -1.1325 -0.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6775 -0.0274 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5953 1.3079 -0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3203 1.6405 -1.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1395 1.6555 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4166 2.7132 0.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3038 2.8276 1.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 3.2098 1.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1574 1.1743 -2.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6486 1.2086 -3.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 2.2495 -4.7438 P 0 0 0 0 0 5 0 0 0 0 0 0 4.5187 1.4666 -5.5751 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3846 3.3852 -3.8410 O 0 0 0 0 0 1 0 0 0 0 0 0 2.4476 3.0102 -5.7807 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3518 2.2251 -6.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4359 2.9689 -6.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9937 3.3326 -8.2268 N 0 0 0 0 0 4 0 0 0 0 0 0 0.0120 3.0858 -9.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3387 4.7552 -8.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1984 2.6192 -8.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 3.1604 8.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8107 1.6740 9.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 2.0927 7.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 0.3082 8.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1903 1.7851 8.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7165 0.4965 6.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3823 0.6479 6.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1053 3.2391 6.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 2.9316 6.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9089 1.9458 4.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8131 3.4152 4.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9731 2.2971 4.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8844 0.3327 2.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -0.2880 2.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8088 0.3660 3.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -1.9853 3.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2325 -3.6236 4.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6082 -1.8479 4.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 -3.5753 4.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6849 -1.5050 2.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9418 -2.5409 3.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2877 -3.4237 0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0185 -4.5375 2.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5671 -2.9977 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -4.3961 2.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4612 -5.8562 0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -5.0362 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6972 -5.4805 -1.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8007 -4.3213 -0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 -3.6819 -2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6525 -3.4129 -2.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9926 0.2858 -0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4228 1.0701 -2.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2467 1.8423 -0.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3391 -2.2157 1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8528 -1.4262 0.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7627 -3.9132 0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4045 -3.8100 -0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5254 -4.1733 -1.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9565 -2.5988 -2.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2411 -2.4190 -1.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4028 -1.4392 -0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5012 -4.3336 -0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6191 -3.5396 0.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9969 -3.7313 1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3542 -2.0855 1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8513 -3.2384 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6454 -2.4132 0.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5858 -1.0044 -1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7695 -0.9006 -1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6964 -0.1252 0.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9742 -0.2005 0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9244 2.1089 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3978 1.3256 -1.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1075 0.9920 -2.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4217 2.6800 -1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2575 1.9884 -0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9336 0.6886 0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3434 2.4903 1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5434 3.7163 0.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6176 3.6628 2.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2099 1.8894 2.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2864 2.3237 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4632 3.9744 1.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 3.6766 0.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 2.1770 -2.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1908 0.7736 -2.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7945 2.1197 -5.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5855 1.2031 -6.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5118 2.3688 -7.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0935 3.8920 -6.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0372 2.0163 -9.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0021 3.1948 -8.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0855 3.7492 -10.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3898 4.9172 -7.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2606 5.0541 -9.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6697 5.3217 -7.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 3.1265 -8.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1626 1.5406 -8.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3391 2.6953 -9.6575 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 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 22 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 50 53 1 0 11 9 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 0 11 70 1 0 12 71 1 0 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 22 85 1 1 23 86 1 0 23 87 1 0 27 88 1 0 27 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 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 41118 1 0 42119 1 0 42120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 51125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 53133 1 0 M CHG 2 46 -1 50 1 M END