HMDB0285705 RDKit 3D PC(20:4(5Z,8Z,11Z,13E)-OH(15S)/14:1(9Z)) 127126 0 0 0 0 0 0 0 0999 V2000 -5.9846 1.1011 3.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7555 1.5470 2.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5298 1.2873 1.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2263 1.7088 2.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3503 1.3087 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 0.2814 3.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2636 -0.7983 3.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7408 -2.1757 3.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8912 -2.8517 4.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5791 -2.3565 5.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4339 -2.1921 3.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7477 -1.8278 4.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9084 -1.6579 3.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9501 -0.5811 2.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8535 0.3425 2.8498 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -0.3953 1.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3677 0.7613 0.7170 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1558 1.6276 0.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 2.8765 0.3035 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3822 3.8673 0.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5986 3.5036 1.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4303 5.2259 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4173 5.5283 -1.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2629 4.8741 -2.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0303 5.2591 -3.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9146 4.4360 -3.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7641 2.9289 -3.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7884 2.6063 -4.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6317 1.8486 -5.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7696 1.1119 -4.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 -0.2965 -5.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3998 -1.2659 -4.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4303 -1.0783 -2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2613 -2.1429 -2.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -2.1310 -0.6856 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9207 -2.0745 -0.2805 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7541 -3.5211 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1284 -3.7715 -0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0767 -2.7339 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4802 -2.9323 -0.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4475 -2.8321 -2.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5467 0.2909 -0.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7855 1.2681 -1.6135 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9965 0.5899 -3.1516 P 0 0 0 0 0 5 0 0 0 0 0 0 2.5102 -0.8624 -3.0651 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1431 1.3495 -4.3573 O 0 0 0 0 0 1 0 0 0 0 0 0 4.6542 0.5043 -3.4586 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 -0.5660 -4.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4147 -0.6892 -4.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2493 -0.8851 -3.4604 N 0 0 0 0 0 4 0 0 0 0 0 0 6.6713 -1.9360 -2.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5918 -1.2227 -3.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3185 0.3633 -2.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8786 1.6566 4.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1665 1.3611 4.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2936 0.0191 3.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6189 1.1481 1.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0163 2.6709 2.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7235 1.9401 0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5642 0.2829 1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6216 1.7914 1.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3356 2.8766 2.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4532 2.0119 3.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4596 0.2159 4.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 -0.5906 3.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7828 -0.8449 4.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1791 -2.2178 2.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6486 -2.8240 3.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7369 -3.9411 4.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5123 -2.9837 5.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1128 -3.2311 5.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5335 -1.5394 5.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4668 -3.1371 3.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0876 -1.3215 3.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6191 -0.8363 5.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0465 -2.5219 5.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -2.6216 3.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8801 -1.6105 4.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2794 1.2520 1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9755 1.8107 2.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 1.0929 0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 5.5814 -0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6955 5.8881 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 6.6491 -1.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4758 5.2526 -0.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 5.3009 -3.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 3.8203 -2.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2096 6.3558 -3.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8544 4.7911 -3.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1478 2.5886 -2.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6289 2.5682 -2.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0183 3.0995 -5.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5041 1.7270 -6.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6959 1.4618 -5.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7793 1.3246 -3.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5225 -0.5092 -6.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2331 -2.3123 -4.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5768 -0.1525 -2.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0985 -3.1184 -2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7926 -1.3115 -0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -2.7720 -0.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 -4.2351 -0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7292 -3.6118 0.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4555 -4.7825 -0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0175 -3.7513 -1.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7283 -1.7086 -0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1697 -2.8826 0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9364 -3.8746 -0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0729 -2.0836 -0.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3162 -3.7938 -2.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4218 -2.4097 -2.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6742 -2.0864 -2.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7171 -0.4017 -1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4574 -0.3847 -0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 -1.4951 -3.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3159 -0.5622 -5.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5161 -1.6201 -5.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 0.1579 -5.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3453 -2.7916 -3.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8143 -1.5420 -2.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4450 -2.2672 -1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8100 -0.6620 -4.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3116 -0.8804 -3.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7561 -2.3117 -4.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3496 0.6044 -2.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9661 1.1984 -3.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6237 0.3268 -1.8546 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 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 2 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 17 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 17 79 1 1 18 80 1 0 18 81 1 0 22 82 1 0 22 83 1 0 23 84 1 0 23 85 1 0 24 86 1 0 24 87 1 0 25 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 32 97 1 0 33 98 1 0 34 99 1 0 35100 1 6 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 51119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 53127 1 0 M CHG 2 46 -1 50 1 M END