HMDB0288921 RDKit 3D PC(20:4(5Z,8Z,11Z,14Z)-OH(16R)/DiMe(11,3)) 142142 0 0 0 0 0 0 0 0999 V2000 -8.6784 -5.4321 -4.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4180 -5.9039 -4.9446 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5553 -4.7027 -5.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2577 -4.9901 -5.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4390 -3.7000 -6.0204 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1713 -2.7926 -6.7423 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1957 -3.9912 -6.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2424 -3.0922 -6.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3421 -1.7495 -6.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1932 -0.7150 -7.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2513 0.1883 -7.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2212 0.2329 -6.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1128 0.0908 -6.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0341 0.9913 -6.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7392 2.2305 -5.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5549 2.2345 -4.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4269 3.1373 -4.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7961 4.3543 -4.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5348 5.5731 -4.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 5.8287 -3.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4143 4.7355 -3.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 4.3626 -3.7598 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7777 4.0902 -2.0627 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1407 3.0649 -1.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1071 3.3156 -0.6678 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2926 3.8497 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3544 3.8215 -0.4682 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7896 4.3816 -1.1848 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.5289 4.6461 -2.6249 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2240 5.7949 -0.3629 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.9952 3.1803 -1.0013 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4169 2.0543 -0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4652 1.0227 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0125 -0.1858 0.4388 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.6150 -1.1076 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8081 0.0480 1.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0116 -0.8427 1.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1294 4.2301 0.4294 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2174 3.7637 1.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7316 2.5811 1.7746 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0737 4.4523 2.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8579 5.5786 3.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 5.4634 2.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1644 4.4856 3.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8034 3.0858 3.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 2.0363 3.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2448 0.6792 3.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0342 -0.4629 3.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5062 -1.7593 3.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1557 -2.9910 3.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9911 -3.2201 5.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8490 -3.0694 6.1089 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3273 -3.3780 7.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9672 -3.3433 8.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4491 -2.1134 9.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0498 -2.0076 10.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0259 -3.7615 7.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -4.2056 8.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8027 -3.6666 5.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5283 -3.9739 4.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4894 -6.1803 -4.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4328 -5.2615 -3.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0651 -4.4946 -4.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6879 -6.3510 -5.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9245 -6.6956 -4.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1219 -4.0069 -5.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3949 -4.1313 -4.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4391 -5.3817 -6.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6468 -5.7205 -5.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1687 -3.3802 -4.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9183 -3.1819 -7.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0749 -4.9460 -7.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3403 -3.3035 -7.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 -1.6819 -5.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6671 -1.7716 -5.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 -0.6967 -7.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2391 0.9288 -7.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4123 1.1091 -5.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2994 -0.6721 -5.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 -0.8058 -7.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0502 0.9017 -6.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 2.5198 -5.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1877 3.0507 -6.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4289 1.3886 -3.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9859 2.9978 -3.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9328 4.3368 -5.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 4.4712 -5.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0719 5.5007 -3.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9495 6.4802 -4.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0326 6.7913 -3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6116 6.1420 -4.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8425 2.5560 -0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9394 2.2514 -2.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4691 2.3192 -0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5432 3.2046 -2.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1426 4.9091 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6171 1.7256 -1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9328 2.4304 0.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3424 1.4233 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8616 0.7528 -1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3267 -0.5545 -1.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4464 -1.7706 -0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7648 -1.7585 -0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4792 -0.9567 1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9972 0.7465 2.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0431 0.4132 0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7802 -1.2907 0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4992 -1.6995 1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4311 -0.2171 2.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1318 4.9682 3.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1224 3.7415 3.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4333 6.4006 2.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6935 6.0578 4.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3754 5.4180 1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7335 6.5008 2.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2419 4.6267 3.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2476 4.6581 4.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8238 2.9495 1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8075 2.8049 3.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 2.2184 3.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 2.1557 4.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3511 0.6347 2.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1525 0.5787 3.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 -0.3288 3.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0571 -0.4590 4.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -1.7334 2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3969 -1.7793 3.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2393 -2.9846 3.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7212 -3.8545 3.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6911 -4.2642 9.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0497 -3.2289 8.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7790 -1.2382 8.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3432 -2.1171 9.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5969 -2.9345 10.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7201 -1.1233 10.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2259 -1.7990 11.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4205 -5.0820 7.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3214 -3.3745 8.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5022 -4.5385 9.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7041 -3.3232 5.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2299 -5.0313 5.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 -4.0000 3.8859 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 5 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 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 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 53 57 2 0 57 58 1 0 57 59 1 0 59 60 1 0 59 51 2 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 1 6 71 1 0 7 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 24 92 1 0 24 93 1 0 25 94 1 1 26 95 1 0 26 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 35101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 37109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 58137 1 0 58138 1 0 58139 1 0 60140 1 0 60141 1 0 60142 1 0 M CHG 2 30 -1 34 1 M END