HMDB0289236 RDKit 3D PC(20:4(5Z,8Z,10E,14Z)-OH(12S)/DiMe(9,3)) 136136 0 0 0 0 0 0 0 0999 V2000 -6.9650 1.1588 -8.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1931 1.1316 -7.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9168 1.9607 -7.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2483 1.8529 -6.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9551 2.6509 -6.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1809 4.0680 -6.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9181 5.0191 -5.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3559 4.8564 -4.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 5.6084 -4.1788 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2582 6.9753 -4.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5398 5.5518 -2.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4265 4.3756 -2.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0528 4.3587 -0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2014 3.2710 -0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0415 1.8849 -0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6162 1.4438 -1.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0809 0.6950 -2.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2882 0.1983 -2.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3198 -1.3413 -2.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 -1.7687 -2.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2509 -1.1657 -1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 -1.5506 -0.0187 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 -0.2170 -0.9823 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 0.4124 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4143 -0.4592 1.1660 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7475 -0.9543 0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5972 -1.8916 -0.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0382 -2.4761 -0.9547 P 0 0 0 0 0 5 0 0 0 0 0 0 9.2499 -1.7362 -0.4441 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2919 -4.1157 -0.5679 O 0 0 0 0 0 1 0 0 0 0 0 0 7.9606 -2.2947 -2.6519 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6124 -0.9828 -2.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5063 -0.7290 -4.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5339 -1.5207 -5.0874 N 0 0 0 0 0 4 0 0 0 0 0 0 5.2900 -0.8051 -5.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2012 -2.7528 -4.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0682 -1.8637 -6.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5942 -1.4682 1.6801 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0894 -1.4587 2.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3303 -0.5186 3.7457 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2244 -2.6011 3.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5339 -2.3191 4.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6082 -1.1160 4.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5794 -1.3854 3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4291 -0.3086 3.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 0.0267 4.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2289 1.1318 4.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1452 1.5398 5.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8957 0.2852 5.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6978 -0.4663 6.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5031 -1.4833 6.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5674 -2.5534 7.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9232 -3.7835 7.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9565 -4.9232 8.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3164 -1.4228 5.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4035 -2.3414 5.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9271 -0.2938 4.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5119 0.1968 3.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6795 2.0234 -9.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7601 0.2199 -9.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0698 1.1791 -8.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8649 0.0988 -7.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8041 1.4958 -6.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 3.0218 -7.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2811 1.6778 -8.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9552 0.7944 -6.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 2.1905 -5.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4865 2.4445 -5.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2765 2.1834 -6.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6072 4.3820 -7.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1323 6.0706 -5.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0302 5.3879 -3.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 3.8217 -4.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3464 5.1623 -4.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9339 7.2841 -3.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2759 6.4685 -2.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6689 3.5150 -2.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3174 5.3233 -0.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 3.4381 0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8988 1.3225 -0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7691 1.5196 0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6768 1.7223 -1.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6585 0.4318 -3.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8201 0.4985 -1.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8418 0.4579 -3.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8626 -1.7751 -3.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8073 -1.7429 -1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4063 -1.5005 -3.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7782 -2.8625 -2.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9990 1.0493 0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5183 1.1422 -0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6115 0.2499 2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2840 -1.4339 1.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3787 -0.1326 0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7209 -0.6364 -2.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4549 -0.3523 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2041 0.3470 -4.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5214 -0.9150 -4.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4485 -1.5264 -5.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3321 -0.1530 -6.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0545 -0.1407 -4.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7781 -2.6212 -3.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3772 -3.2201 -5.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0314 -3.4965 -4.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0286 -2.4005 -6.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2918 -0.9030 -6.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3288 -2.4403 -6.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4968 -2.9190 2.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8999 -3.5024 3.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2587 -2.2014 5.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9682 -3.2431 4.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1559 -0.1958 4.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1553 -1.0229 5.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1361 -1.4693 2.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0732 -2.3392 3.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 -0.6745 2.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0096 0.6346 2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8439 -0.8136 4.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6609 0.4451 5.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7927 0.7293 3.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6434 1.9978 3.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8557 2.2879 4.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6049 1.9231 6.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6216 -2.7819 7.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 -2.2429 8.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8508 -3.5939 6.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4335 -4.1398 6.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8652 -5.5489 8.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9312 -4.4530 9.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0722 -5.5600 8.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0265 -2.6282 6.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1104 -1.8257 4.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0179 -3.2668 4.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4101 1.2971 3.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6178 0.0043 3.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1193 -0.3707 2.7470 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 9 11 1 0 11 12 2 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 51 55 2 0 55 56 1 0 55 57 1 0 57 58 1 0 57 49 2 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 6 10 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 24 90 1 0 24 91 1 0 25 92 1 1 26 93 1 0 26 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 35 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 37107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 54130 1 0 56131 1 0 56132 1 0 56133 1 0 58134 1 0 58135 1 0 58136 1 0 M CHG 2 30 -1 34 1 M END