HMDB0288456 RDKit 3D PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 143142 0 0 0 0 0 0 0 0999 V2000 1.2711 6.1767 1.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8338 6.0430 1.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1534 4.9328 2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8203 3.8607 2.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4332 3.4454 1.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4461 4.3043 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8323 3.9923 -1.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 2.7808 -1.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 2.0141 -2.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9712 1.8284 -3.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5967 2.3856 -3.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6828 3.2072 -5.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 3.0327 -6.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1408 1.9812 -6.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1339 0.9379 -5.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3341 0.6701 -5.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4928 1.4672 -5.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1662 2.3277 -4.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7832 1.9323 -3.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1519 1.4547 -1.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3086 0.2554 -1.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 0.0264 -0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3164 0.8570 0.4858 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3615 -1.1846 -0.0685 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1414 -1.3669 1.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1387 -0.4015 1.9176 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2170 -0.8827 1.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4496 -0.8244 0.1691 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9695 -1.5188 -0.1381 P 0 0 0 0 0 5 0 0 0 0 0 0 2.7015 -3.0330 -0.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0181 -1.2816 1.1692 O 0 0 0 0 0 1 0 0 0 0 0 0 3.6908 -1.1056 -1.5828 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3487 -2.2396 -2.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1443 -2.1694 -3.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2686 -1.2957 -3.3311 N 0 0 0 0 0 4 0 0 0 0 0 0 6.6110 -0.6568 -2.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0286 -0.2931 -4.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4637 -2.0482 -3.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2638 -0.5296 3.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7565 0.4149 4.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 1.5077 3.7528 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8238 0.1149 5.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9535 0.8069 6.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2776 0.4385 5.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4746 0.9411 6.4515 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5260 2.2968 6.5616 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7499 0.4712 5.7203 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8223 0.7325 6.5548 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6767 -0.9150 5.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6128 -1.3436 4.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6151 -0.4411 3.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5417 -0.8029 1.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4479 -2.1866 1.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3650 -2.4651 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2657 -3.8134 -0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1677 -4.0265 -1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0651 -5.3558 -2.3019 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3659 -5.2664 -3.5396 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2631 -6.3508 -1.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8796 -5.9432 -1.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3515 -5.8320 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0246 -6.0943 1.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2819 -7.1956 1.9707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0055 7.1536 1.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 6.0274 2.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9359 5.3202 1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0933 5.9920 0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1799 7.0282 2.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7684 5.0303 3.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9301 3.1173 3.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0937 2.3842 0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5621 3.3005 1.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 5.2413 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8989 4.7115 -2.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0979 2.0311 -0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0026 3.0423 -1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6397 1.6175 -2.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 1.2432 -4.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 1.7387 -3.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4335 3.2073 -3.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3579 4.1013 -5.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2424 3.7772 -7.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6317 1.4780 -7.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 2.3720 -7.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6665 0.2242 -5.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3853 -0.2074 -4.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2973 0.6596 -5.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 2.0120 -6.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4887 3.2503 -4.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9905 2.9006 -5.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6695 1.1893 -3.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4705 2.8231 -2.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6261 2.3430 -1.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0148 1.2680 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7338 -0.6505 -2.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2691 0.4060 -2.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8183 -2.4334 1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1268 -1.2961 1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3646 0.5909 1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3081 -1.9929 1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0328 -0.3594 2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5777 -3.0582 -2.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 -2.6631 -1.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4932 -2.0411 -4.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5545 -3.2235 -3.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8763 -0.7216 -1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 -1.1395 -1.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9234 0.3928 -2.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0391 -0.4431 -4.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8068 -0.3830 -5.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1523 0.7367 -3.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2715 -1.2989 -3.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6909 -2.8796 -3.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2111 -2.3787 -4.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1092 0.4510 6.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8764 -0.9680 5.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8682 1.8916 6.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9512 0.4031 7.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2043 0.7492 4.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3903 -0.6887 5.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5532 0.5011 7.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9123 2.7892 5.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8501 1.2080 4.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6463 0.4620 6.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6627 -1.6592 6.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5531 -2.4324 3.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6824 0.6248 3.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5618 -0.0033 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4361 -2.9852 2.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3712 -1.6456 -0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2855 -4.6191 0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1603 -3.1810 -2.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0502 -5.7893 -2.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5816 -4.4192 -3.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8534 -6.5937 -0.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2139 -7.2854 -2.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2684 -5.7239 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2763 -5.5080 -0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0648 -6.4030 1.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0015 -5.2113 1.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1892 -7.1879 1.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3572 -7.0791 3.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7432 -8.1482 1.6724 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 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 47 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 25 98 1 0 26 99 1 1 27100 1 0 27101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 36106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 38114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 1 46122 1 0 47123 1 6 48124 1 0 49125 1 0 50126 1 0 51127 1 0 52128 1 0 53129 1 0 54130 1 0 55131 1 0 56132 1 0 57133 1 6 58134 1 0 59135 1 0 59136 1 0 60137 1 0 61138 1 0 62139 1 0 62140 1 0 63141 1 0 63142 1 0 63143 1 0 M CHG 2 31 -1 35 1 M END