HMDB0287401 RDKit 3D PC(20:3(8Z,11Z,14Z)/18:1(12Z)-2OH(9,10)) 142141 0 0 0 0 0 0 0 0999 V2000 -0.4934 5.4746 -5.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1928 4.6278 -4.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0464 5.0259 -3.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6239 4.1071 -2.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4284 4.4083 -0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9527 3.5193 0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7253 2.6713 0.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 2.4812 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4318 1.0941 0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9166 0.7239 -0.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 1.6674 -2.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5692 1.6474 -3.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6227 0.9134 -3.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9089 -0.1750 -3.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 0.0874 -3.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2728 -1.1811 -2.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7602 -0.9969 -2.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4568 -2.2292 -1.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9447 -1.9613 -1.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 -1.0044 -0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -0.7263 0.1743 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1580 -0.3930 0.0489 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1115 0.5259 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 1.7444 0.7732 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9018 2.4658 -0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0579 1.6504 -1.5249 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7212 2.5290 -2.8198 P 0 0 0 0 0 5 0 0 0 0 0 0 7.1199 2.0737 -3.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7952 4.1680 -2.3222 O 0 0 0 0 0 1 0 0 0 0 0 0 4.6998 2.3531 -4.1206 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0762 1.3839 -5.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 1.3751 -6.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 0.4185 -7.1613 N 0 0 0 0 0 4 0 0 0 0 0 0 3.1947 0.6018 -8.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5154 0.6161 -7.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1626 -0.9503 -6.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1563 2.6421 1.8859 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9178 2.8344 2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9864 2.1431 1.8732 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5259 3.7074 3.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1164 3.1977 3.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2331 1.7839 4.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 1.1934 4.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0925 -0.2221 5.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -0.8853 5.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0621 -2.2717 6.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3643 -2.9948 6.2790 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2498 -2.2966 7.0753 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -4.3725 6.8542 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8312 -4.3780 8.1682 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2876 -5.3419 6.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3192 -5.5224 4.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3305 -5.2509 4.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6204 -4.7203 4.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7902 -5.6575 4.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7826 -5.7916 2.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9228 -6.7067 2.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8295 -6.7937 0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3293 6.2235 -5.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4273 6.0702 -5.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5575 4.8739 -6.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3773 3.5797 -4.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8856 4.7101 -4.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7445 6.0498 -2.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 4.9215 -3.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 4.2052 -1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8513 3.0742 -2.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1331 5.4643 -0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4714 4.3325 -1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1058 3.5634 0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2886 2.0414 1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6332 2.6440 1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6581 3.2663 0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2159 0.2559 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1299 -0.3661 -1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2772 2.7423 -1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3968 1.5441 -2.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9816 2.4710 -4.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 1.1878 -4.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0161 -1.1686 -3.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1983 -0.3578 -2.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2621 0.8300 -2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0317 0.3313 -4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -2.0610 -3.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2392 -1.3756 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0506 -0.0964 -1.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 -0.8375 -3.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4525 -3.0154 -2.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9757 -2.6877 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4565 -2.8764 -1.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -1.4772 -2.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 0.0781 2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1519 0.8279 1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3192 1.3710 0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8827 2.9540 -0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2703 3.3187 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0335 0.4081 -4.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0733 1.6361 -5.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 1.1172 -5.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9489 2.4095 -6.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2641 0.1276 -7.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9996 1.6608 -8.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4427 0.0456 -9.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 0.1217 -7.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 1.6914 -8.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4323 0.1271 -8.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 -1.1512 -6.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 -1.1303 -5.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4587 -1.6381 -7.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1691 3.5111 4.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4578 4.7788 3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 3.8032 4.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4313 3.2045 3.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7512 1.8685 5.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8848 1.1227 3.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6556 1.7420 5.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7718 1.1128 3.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5731 -0.0581 6.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7426 -0.8416 4.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7919 -0.2949 6.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8806 -0.9044 4.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6355 -2.1939 7.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3048 -2.8372 5.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8098 -3.0658 5.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2044 -2.4244 6.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2562 -4.7928 6.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7161 -5.3300 8.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9518 -6.3373 6.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2524 -5.1505 6.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4057 -5.9196 4.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2096 -5.4267 3.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8925 -3.7659 4.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6664 -4.4355 5.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6861 -6.6351 4.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7150 -5.1263 4.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8532 -6.2834 2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8471 -4.8153 2.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8915 -6.3121 2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7408 -7.6958 2.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4620 -7.8078 0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7690 -6.5144 0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0499 -6.0591 0.4432 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 2 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 47 48 1 0 47 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 6 25 95 1 0 25 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 34101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 36109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 6 48125 1 0 49126 1 6 50127 1 0 51128 1 0 51129 1 0 52130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 58142 1 0 M CHG 2 29 -1 33 1 M END