HMDB0011324 RDKit 3D PC(P-18:1(9Z)/22:2(13Z,16Z)) 147146 0 0 0 0 0 0 0 0999 V2000 -1.8516 7.8288 6.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4683 6.3898 6.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 6.0927 5.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0072 4.6200 5.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2138 4.1488 4.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9631 4.4936 3.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7231 5.2137 2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 5.7797 3.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0681 7.2248 2.9763 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0124 7.8709 2.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1986 7.5136 1.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8584 6.2047 1.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4297 5.6413 2.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0295 4.2933 2.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2309 4.2035 1.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7012 2.7557 1.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6414 1.8815 1.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4467 2.2527 -0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3485 1.4861 -1.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4693 0.0172 -0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4572 -0.7750 -1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -0.5007 -1.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6509 0.4775 -0.7266 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0413 -1.3395 -1.8815 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6873 -1.0173 -1.6817 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0857 -2.0544 -0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2704 -1.7175 -0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1084 -2.4147 0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -1.7249 1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5226 -0.2914 1.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6654 0.6268 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2638 0.4339 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3423 1.4428 -0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0798 1.4504 -1.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9303 0.2896 -2.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2870 -1.0167 -2.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6108 -2.1038 -1.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6805 -2.1210 -0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 -2.5192 0.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5768 -3.9353 0.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6631 -4.9331 0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0945 -6.3277 0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1979 -7.3517 0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5844 -8.7368 0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9874 -8.9991 1.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9009 -1.1222 -2.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2789 -0.3360 -3.9881 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2057 -0.7193 -5.2730 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8550 0.3665 -5.3795 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0202 -0.7805 -6.7449 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.5358 -2.1869 -4.9794 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 -2.8140 -6.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 -4.1175 -5.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8783 -5.1304 -5.2413 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.7847 -6.2511 -4.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2372 -4.7288 -4.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0892 -5.7032 -6.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0236 8.2389 7.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1547 8.4859 5.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8582 7.9351 5.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 6.1397 7.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2936 5.7501 5.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5739 6.7093 5.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5169 6.4290 4.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8909 4.0517 5.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 4.4286 6.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3287 3.0349 4.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0725 4.6000 5.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0273 4.1113 2.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4217 5.3973 1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1103 5.4699 4.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8363 5.2197 2.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2285 7.8121 3.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8299 9.0231 2.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2314 7.9377 0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0843 8.1996 2.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3316 5.4624 0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8336 6.3447 0.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2768 6.3660 3.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7321 5.7183 3.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 3.5354 2.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3016 3.9413 3.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 4.7453 2.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1206 4.6959 0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6085 2.6737 1.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8388 2.4011 2.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7280 1.7546 1.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1180 0.8500 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2720 3.3630 -0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3749 2.0791 -0.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 1.8243 -0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3728 1.7705 -2.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4244 -0.2372 0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4772 -0.3436 -1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7003 -1.8768 -1.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6376 -0.6729 -2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6222 -0.0148 -1.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1397 -3.0610 -1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5897 -2.0223 0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2974 -3.4693 0.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4256 -2.2742 1.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7184 -0.0010 0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1113 -0.1191 2.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4128 0.4848 1.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2406 1.6717 1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4518 0.5435 -0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6308 -0.5829 -0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0412 1.2951 0.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8906 2.4586 -0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6961 2.4093 -1.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3527 1.5906 -2.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 0.2736 -1.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2803 0.5298 -3.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 -1.1071 -2.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0491 -3.0064 -1.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4911 -2.8504 -0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1653 -1.1502 -0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9713 -2.4799 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3413 -1.8168 1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7626 -3.9757 0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1514 -4.1920 1.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0714 -4.7854 -0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4840 -4.8961 1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6217 -6.5644 1.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3558 -6.4698 -0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6551 -7.1401 -0.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9148 -7.2749 1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3629 -9.5064 0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7555 -8.7640 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6256 -8.5577 2.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9925 -8.5020 1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8141 -10.0898 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9392 -2.1952 -3.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1782 -0.9509 -2.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7688 -2.1317 -6.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1929 -3.0228 -6.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6017 -4.0116 -5.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1012 -4.5219 -6.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3395 -6.9031 -4.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7548 -5.8866 -4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9762 -6.8815 -5.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8053 -4.4056 -4.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7993 -3.9533 -3.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1899 -5.6023 -3.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4377 -6.6858 -5.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4153 -5.9170 -7.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 -5.0849 -6.2498 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 2 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 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 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 2 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 25 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 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 10 74 1 0 11 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 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 1 26 98 1 0 26 99 1 0 28100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 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 45132 1 0 46133 1 0 46134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 55139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 57147 1 0 M CHG 2 50 -1 54 1 M END