HMDB0292923 RDKit 3D CDP-DG(a-15:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) 149150 0 0 0 0 0 0 0 0999 V2000 0.2081 -0.5473 -1.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3763 0.9360 -1.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4673 1.4819 -1.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3189 2.4415 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0611 3.1370 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3047 2.9643 1.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4153 3.9506 2.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1979 5.3448 2.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3896 6.2557 2.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9916 7.5433 1.8589 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8906 6.2736 3.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1889 5.9360 4.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7363 5.9708 6.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0651 5.6269 7.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 5.1599 6.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 3.7932 7.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9589 2.8085 6.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4021 2.9623 5.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8304 2.5363 5.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2084 1.5769 4.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3548 0.8029 3.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4082 -0.6645 4.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5521 -1.4950 3.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1124 -2.0849 2.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2054 -1.6333 3.3135 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5318 -2.4427 2.4180 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5283 -1.6377 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2989 -2.4160 0.7637 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2567 -1.8840 -0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -0.6271 -0.0577 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0364 -2.7817 -0.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9158 -2.0244 -1.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1146 -1.1718 -2.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -0.3975 -3.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0619 0.4179 -4.7786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2107 1.4225 -4.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3692 2.1106 -5.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4686 3.1441 -4.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5901 3.8261 -5.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3017 4.8490 -4.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 5.4944 -6.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0747 6.5521 -5.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0809 4.4787 -6.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9455 5.1592 -7.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1393 -3.5720 3.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -4.2598 3.7761 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4926 -5.5671 4.7076 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5370 -5.0929 6.1626 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 -6.1314 4.2854 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6604 -6.8031 4.6598 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2307 -6.2176 4.6707 P 0 0 0 0 0 5 0 0 0 0 0 0 3.0316 -6.8982 5.7819 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3104 -4.5601 4.9783 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9689 -6.5982 3.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6055 -5.7321 2.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2657 -6.0691 0.8851 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9672 -7.3186 0.4246 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9455 -7.3253 -0.9444 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8034 -8.0269 -1.5164 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5428 -7.6204 -1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5157 -8.2966 -1.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3127 -9.4245 -2.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3624 -10.1561 -3.2419 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9726 -9.7862 -2.8339 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9814 -9.1133 -2.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1806 -9.5048 -2.4983 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0121 -5.8979 -1.4319 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1301 -5.6650 -2.2282 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9953 -5.0738 -0.1882 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9648 -4.0655 -0.2503 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -1.1942 -2.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7825 -0.7596 -0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.7827 -1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6589 0.9506 -3.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5775 1.4011 -1.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4922 1.0516 -1.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2134 2.7702 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0699 4.1791 -0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8068 2.6804 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4798 1.9269 1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7018 3.6754 3.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2617 5.5271 1.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5944 5.7720 2.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2317 5.9418 1.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3082 7.8441 2.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9238 6.5813 3.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1788 5.6525 4.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7799 6.3023 6.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 5.6667 8.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9007 5.8003 7.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8519 5.4291 6.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1913 3.6123 8.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0521 1.7782 7.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3363 3.9919 4.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7617 2.2872 4.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5459 3.0854 5.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2806 1.3133 4.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8683 0.8656 2.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3489 1.1371 3.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.7268 5.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4509 -0.9683 3.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -2.9149 1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1479 -1.0637 2.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9701 -0.8905 1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6892 -3.4832 -0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3025 -3.3449 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5799 -2.6715 -2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5568 -1.3354 -1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4365 -0.4751 -2.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4707 -1.8733 -3.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6954 0.2000 -3.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4719 -1.1390 -4.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4514 -0.1943 -5.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7607 0.9984 -5.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 2.2322 -3.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4887 1.0123 -3.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7051 1.2968 -5.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9743 2.4774 -5.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8973 2.8006 -3.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1366 3.9802 -4.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0252 3.0291 -6.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2562 4.3072 -6.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3252 5.6844 -4.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 4.4223 -4.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 6.0128 -6.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7184 6.9188 -6.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7064 6.0866 -4.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4926 7.4205 -5.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4942 3.7131 -7.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7538 4.0612 -5.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 4.3311 -8.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3834 5.8657 -8.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8538 5.5934 -7.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6982 -4.2607 2.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8232 -3.1953 4.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8976 -6.9010 3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2556 -4.3559 5.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8571 -4.7074 2.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4859 -5.7426 2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3782 -6.0571 1.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8561 -7.8401 -1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -6.7667 -0.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5637 -7.9932 -1.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7297 -10.9927 -2.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -9.8446 -4.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1155 -5.6855 -2.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -5.2912 -3.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9711 -4.6219 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0379 -3.6948 -1.1613 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 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 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 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 26 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 62 64 2 0 64 65 1 0 65 66 2 0 58 67 1 0 67 68 1 0 67 69 1 0 69 70 1 0 69 56 1 0 65 59 1 0 1 71 1 0 1 72 1 0 1 73 1 0 2 74 1 0 2 75 1 0 3 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 7 81 1 0 8 82 1 0 8 83 1 0 9 84 1 0 10 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 22100 1 0 22101 1 0 26102 1 6 27103 1 0 27104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 38120 1 0 39121 1 0 39122 1 0 40123 1 0 40124 1 0 41125 1 0 42126 1 0 42127 1 0 42128 1 0 43129 1 0 43130 1 0 44131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 49136 1 0 53137 1 0 55138 1 0 55139 1 0 56140 1 1 58141 1 6 60142 1 0 61143 1 0 63144 1 0 63145 1 0 67146 1 6 68147 1 0 69148 1 1 70149 1 0 M END