HMDB0285767 RDKit 3D PC(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/14:1(9Z)) 129128 0 0 0 0 0 0 0 0999 V2000 -1.4915 2.0266 10.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9097 0.8511 9.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4431 -0.4332 9.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1088 -1.2206 9.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 -0.9280 7.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8585 -0.9036 7.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4895 -1.6361 6.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8518 -2.6387 5.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2477 -2.2489 4.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5083 -1.9498 3.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0218 -1.9355 3.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -0.5836 2.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7239 0.0915 3.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2038 -0.4043 4.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6069 0.3291 5.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0155 1.6617 5.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5493 2.2993 6.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1185 1.7453 4.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4044 3.1608 4.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2675 3.7884 2.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8002 3.1573 1.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5214 3.8736 1.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0834 3.4648 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 4.2798 -0.9275 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7376 2.2806 -0.2062 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3029 1.9837 -1.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4189 1.9153 -2.6245 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2996 1.9574 -3.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5251 2.1807 -5.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4678 2.2489 -6.3960 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.8806 1.7689 -6.1182 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7951 1.2831 -7.6125 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.4987 3.8360 -7.0415 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5714 3.8953 -7.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7664 5.2067 -8.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6638 5.6522 -9.3815 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.9922 6.7158 -8.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0715 6.1839 -10.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6596 4.6213 -9.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 0.9128 -2.6546 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8934 1.0799 -2.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3745 2.2251 -2.5352 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.0843 -2.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2481 0.3629 -2.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3214 -0.6098 -2.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3895 -1.8897 -1.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3779 -2.9331 -2.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -4.1531 -1.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 -5.2734 -1.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0741 -6.4487 -0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2721 -6.9909 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 -6.4693 0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -7.5353 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4847 -7.0354 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7483 -5.8174 -0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1602 2.9722 9.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0619 2.0402 11.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 1.9655 10.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1922 0.8417 9.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8909 1.0689 8.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3162 -0.7891 10.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5032 -2.1859 9.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8735 -1.7207 7.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0067 0.0362 7.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4203 -0.1847 7.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5863 -1.5365 6.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3395 -3.6578 5.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7838 -2.7289 5.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3556 -2.2069 4.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9944 -1.6720 2.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6663 -2.5711 2.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5928 -2.2992 4.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8623 -0.1021 2.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3987 1.1080 3.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -1.4245 5.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9467 -0.1541 6.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1738 2.3138 5.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0065 2.0059 7.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0215 1.3015 4.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 1.1229 3.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7696 3.7464 4.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5051 4.8791 2.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 2.0998 1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.4201 0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6621 4.9796 1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1733 3.7085 2.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7725 0.9538 -1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1812 2.6294 -1.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 2.8988 -2.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0813 2.7283 -3.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7934 0.9945 -3.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 3.7345 -7.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5429 3.0385 -8.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0719 6.0226 -7.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6339 5.0765 -9.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3496 7.7162 -8.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2376 6.6289 -7.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1208 6.6348 -8.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8202 5.4105 -11.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1224 6.4994 -10.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4529 7.0729 -10.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0262 4.9335 -10.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 4.5513 -8.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0928 3.6453 -9.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7279 -0.5639 -3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5005 -0.7125 -1.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4149 1.2256 -3.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3419 0.9186 -1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4933 -0.7694 -3.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3087 -0.0591 -2.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4817 -1.6989 -0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4002 -2.3532 -2.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3436 -2.6713 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4649 -3.3163 -3.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7825 -4.4150 -1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6678 -3.8315 -0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -5.5322 -2.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7574 -4.8482 -1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0722 -6.8885 -1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5967 -7.8943 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8846 -6.3869 1.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6882 -5.4829 -0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0302 -7.8809 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0633 -8.4435 0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2572 -7.7882 0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5956 -6.7955 1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5832 -4.8834 -0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -5.8212 -1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7931 -5.7814 -0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 27 40 1 0 40 41 1 0 41 42 2 0 41 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 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 26 87 1 0 26 88 1 0 27 89 1 6 28 90 1 0 28 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 37 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 39104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 53124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 55129 1 0 M CHG 2 32 -1 36 1 M END