HMDB0285647 RDKit 3D PC(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/14:0) 127126 0 0 0 0 0 0 0 0999 V2000 2.8066 -2.8544 6.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 -4.1076 6.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5776 -5.0276 7.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1413 -6.2603 7.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7476 -6.6726 5.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5387 -6.0008 5.5598 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4676 -8.1720 5.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0767 -8.6412 4.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9726 -7.8952 3.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5798 -8.4426 2.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4582 -7.7858 1.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -6.3088 0.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8162 -6.1780 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6659 -5.4714 -1.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -4.7589 -1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7666 -3.3130 -1.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5515 -2.6095 -2.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -3.0613 -3.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 -2.4786 -4.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4087 -1.0046 -4.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3161 -0.2332 -3.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4691 -0.8119 -1.9884 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0615 1.1314 -3.0824 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0118 1.7661 -1.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 3.2440 -1.9504 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4870 3.5267 -2.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2531 2.9412 -4.0394 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5341 3.1647 -5.0919 P 0 0 0 0 0 5 0 0 0 0 0 0 2.5311 1.9744 -6.0558 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0159 3.0793 -4.2623 O 0 0 0 0 0 1 0 0 0 0 0 0 2.4195 4.5482 -6.0178 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1174 4.9363 -6.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 6.1905 -7.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0867 6.7235 -7.4952 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.6743 7.4698 -6.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0523 5.7559 -7.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1009 7.6909 -8.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3733 3.7843 -0.6271 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6215 4.5970 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 4.8011 -0.9208 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6142 5.2440 1.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8986 5.9751 1.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1245 5.1241 1.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0448 4.2975 2.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2157 3.4103 3.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3772 2.2886 2.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1670 1.3692 2.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2639 0.2176 1.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1166 -0.7192 1.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -0.0808 1.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3545 -1.0404 1.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6967 -0.3564 1.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7698 -1.3643 2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5565 -2.6433 7.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8502 -2.9237 5.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3332 -1.9527 6.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7277 -3.7412 6.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4327 -4.4967 5.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8837 -4.6583 8.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 -6.9641 8.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4697 -6.4976 5.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3026 -5.3510 6.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7445 -8.4066 6.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4098 -8.7118 6.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8389 -9.7058 4.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2004 -6.8644 3.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3621 -9.5246 2.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -8.2955 0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7735 -5.8663 0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0843 -5.9808 1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7776 -6.6978 0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 -5.3583 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5451 -4.9496 -0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1261 -5.1188 -2.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2266 -2.8103 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8999 -1.5520 -2.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7128 -2.6980 -4.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9182 -4.1466 -3.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1685 -2.9057 -3.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5131 -2.9042 -5.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3261 -0.6596 -4.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4277 -0.6196 -5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8085 1.3150 -1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0057 1.7147 -1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6486 3.6485 -2.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 4.5950 -2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3538 3.0141 -2.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6499 4.1330 -6.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5996 5.0809 -5.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8101 5.9409 -8.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7764 6.9568 -6.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0785 8.4438 -6.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5029 6.9093 -5.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0857 7.6415 -5.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8591 5.4648 -8.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1949 4.9125 -7.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0492 6.2878 -7.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 8.5757 -8.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1441 8.0647 -8.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0235 7.1658 -9.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1982 6.0099 1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4322 4.4653 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7307 6.5721 2.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0109 6.7718 0.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9959 5.8123 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1529 4.4135 0.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0859 3.7701 2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 5.0368 3.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1795 3.9948 3.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1649 3.0242 4.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3275 1.7475 2.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3302 2.6112 1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2928 1.9872 1.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0634 1.0701 3.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1843 0.5609 0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2435 -0.2841 1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2139 -1.5691 0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2216 -1.1688 2.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6878 0.7864 2.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 0.2695 0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2308 -1.5367 2.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3261 -1.8111 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7893 -0.1074 0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7664 0.5594 2.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3027 -2.3232 2.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3734 -0.9932 2.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 -1.5802 1.1407 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 5 7 1 0 7 8 1 0 8 9 2 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 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 0 24 84 1 0 25 85 1 6 26 86 1 0 26 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 35 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 37100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 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 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 53127 1 0 M CHG 2 30 -1 34 1 M END