HMDB0287819 RDKit 3D PC(22:0/18:1(12Z)-O(9S,10R)) 151151 0 0 0 0 0 0 0 0999 V2000 15.8421 8.0016 0.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6374 7.8142 -0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6892 6.3230 -0.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5891 5.6733 -0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6172 4.1619 -0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5523 3.4973 0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5530 2.8234 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3371 2.6183 -1.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3034 1.1372 -1.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1077 0.8375 -3.2627 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0868 0.4481 -2.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7439 1.1026 -2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1715 1.5050 -1.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8522 2.1929 -1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7214 1.4307 -1.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4065 0.1800 -1.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2047 -0.5801 -1.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 0.2771 -1.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7649 -0.4769 -2.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4677 -0.5280 -3.3358 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9487 -1.1228 -1.2242 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8045 -1.8049 -1.5716 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4258 -1.1398 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2516 -1.1517 0.4754 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1367 -0.6077 1.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1693 -0.0700 0.9367 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8448 -0.6694 2.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8163 -1.4786 3.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2283 -0.8476 3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0759 -1.7495 4.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4691 -1.4354 4.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4966 -1.2661 3.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3699 -0.1366 2.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6677 -0.2351 1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7145 0.8615 0.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9642 0.7926 -0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2161 0.8925 0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4339 0.8086 -0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5466 1.9109 -1.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6123 3.2609 -0.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7055 3.5865 0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0950 3.8155 0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9678 2.9162 -0.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7234 3.0997 -2.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4864 2.2838 -3.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3453 0.8175 -3.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8667 0.1754 -1.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7313 -3.2501 -1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8215 -3.4221 0.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6719 -5.0860 0.4915 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1470 -5.7412 -0.5913 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2231 -5.2627 1.9438 O 0 0 0 0 0 1 0 0 0 0 0 0 2.1439 -5.8514 0.7406 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0483 -6.8273 1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3649 -7.4954 1.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8434 -8.1543 0.7525 N 0 0 0 0 0 4 0 0 0 0 0 0 5.1461 -8.7555 1.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0596 -7.2445 -0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9193 -9.1789 0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4706 8.9115 1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8283 8.1788 1.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3560 7.1786 1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4331 8.3045 -1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6268 8.1667 -0.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6083 6.1536 -1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7022 5.9712 -0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7038 5.7990 1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6210 6.1027 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5976 3.7517 -0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6280 4.0719 -1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6368 3.6014 1.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8501 2.3884 0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4432 3.1552 -1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1621 3.0699 -2.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1086 0.5561 -1.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0811 -0.6574 -2.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0192 0.4851 -3.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8776 2.0215 -3.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8428 2.1503 -0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0996 0.5611 -0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9748 3.2078 -1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5649 2.4215 -0.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8298 1.1907 -2.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 2.0941 -1.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2581 -0.5569 -1.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2339 0.3280 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0605 -1.4629 -1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4815 -0.9580 -2.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1768 1.1053 -2.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8525 0.7130 -0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -1.7336 -2.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -1.6982 -1.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5382 -0.1033 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2118 -1.0083 2.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8257 0.3903 3.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5025 -1.6554 4.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8816 -2.5155 3.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1347 0.1728 3.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5859 -0.9136 2.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9346 -2.7979 3.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5368 -1.8186 5.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8330 -2.2742 5.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4907 -0.5574 5.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5253 -1.1984 4.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5898 -2.2529 3.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5911 -0.3630 1.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2888 0.8452 3.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4916 -0.2603 2.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5888 -1.2229 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6219 1.8337 1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8478 0.7711 0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9975 -0.1199 -0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9271 1.6591 -0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2085 1.7303 1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2338 -0.0471 1.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3361 -0.1401 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3574 0.7078 0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3927 1.6553 -1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6473 1.8020 -1.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6951 3.9837 -1.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6094 3.5751 -0.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3453 4.5559 0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6487 2.8672 1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3106 4.9023 -0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6529 3.8538 1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0579 3.0941 -0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8129 1.8554 -0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1085 4.2195 -2.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6731 3.2138 -2.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2743 2.6640 -4.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5993 2.5390 -3.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2605 0.5028 -3.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8719 0.3825 -4.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0497 -0.1870 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4512 -0.7764 -2.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5767 0.8425 -1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3047 -3.6175 -1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4199 -3.8967 -1.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2944 -7.5985 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6703 -6.3727 2.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1383 -6.8374 2.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2045 -8.3228 2.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5995 -8.2217 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8578 -8.6044 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0565 -9.8303 1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1651 -7.1684 -1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 -6.2466 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8845 -7.6588 -0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3282 -8.7976 -0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4185 -10.1037 -0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 -9.3784 1.1424 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 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 22 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 11 9 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 22 91 1 6 23 92 1 0 23 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 57143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 59151 1 0 M CHG 2 52 -1 56 1 M END