HMDB0297589 RDKit 3D DG(a-15:0/0:0/18:1(12Z)-2OH(9,10)) 111110 0 0 0 0 0 0 0 0999 V2000 12.0310 1.4634 -4.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5126 2.0867 -3.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1504 1.3846 -2.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8505 -0.0989 -2.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6159 -0.6481 -0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3901 -2.0609 -0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8826 -2.5681 0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4960 -1.7440 1.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0205 -1.8480 1.8358 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7488 -1.0241 2.9071 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1366 -1.6956 0.6474 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1773 -0.3931 0.1386 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7196 -2.1531 0.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0601 -1.3818 1.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6428 -1.7448 2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -1.5615 1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6615 -0.1125 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3431 0.8333 1.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 0.6780 2.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8805 0.8727 1.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3355 -0.1434 1.0176 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5068 2.1594 1.2426 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4244 2.5036 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9104 2.0918 0.9958 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0986 0.7384 1.1249 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0508 2.7462 0.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2691 2.7292 0.9463 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0601 1.7015 1.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6841 0.5350 1.1072 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3593 1.9339 2.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9783 0.6401 2.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3948 -0.2618 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4527 0.3833 0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9067 -0.5197 -0.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9618 0.0940 -1.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2016 0.4812 -0.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2409 1.0613 -1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4928 1.4947 -0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3133 0.5605 -0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8984 -0.6408 -0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8169 -0.3338 -1.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0545 -1.7967 -1.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8673 -2.9409 -1.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2212 2.2716 -5.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2959 0.7317 -5.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9997 0.9680 -4.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4182 2.0706 -3.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9332 3.1304 -3.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7742 1.8753 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2427 1.5549 -2.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1734 -0.5888 -3.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7670 -0.2709 -2.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5597 0.0314 -0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7042 -0.5568 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6671 -2.7397 -1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7287 -3.6700 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0120 -2.2384 2.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8567 -0.7218 1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8354 -2.9002 2.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9142 -1.4323 3.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6056 -2.3439 -0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7697 0.1745 0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1717 -1.9482 -0.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7418 -3.2479 1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6040 -1.5423 2.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1716 -0.2763 1.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 -1.1370 3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6145 -2.8059 2.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8135 -2.2543 0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6378 -1.7608 1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7344 0.0826 0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0509 0.0094 -0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 1.8800 1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 0.8263 2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9388 -0.3370 2.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9244 1.4199 3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5704 1.9256 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4424 3.6038 0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9572 2.5416 2.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1774 0.2745 0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7881 3.8275 0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1775 2.3326 -0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1864 2.5485 3.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9727 2.5702 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2725 0.0513 3.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8616 0.8169 3.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9043 -1.1465 1.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5943 -0.6493 0.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3046 0.5890 1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9922 1.2871 0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2842 -1.4658 -0.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0779 -0.8333 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2976 -0.7103 -2.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6031 0.9098 -2.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4876 -0.3792 -0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8437 1.2577 0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4601 0.4078 -2.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7198 1.9466 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1819 2.3189 -0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1576 2.0977 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7917 0.3273 0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2031 1.1571 0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6549 -1.0211 -0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2882 0.6587 -1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2439 -0.2778 -2.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6551 -1.0601 -2.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1922 -1.6744 -1.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6517 -2.2657 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6700 -3.2472 -1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2038 -2.6777 -2.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1681 -3.7967 -1.8617 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 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 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 24 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 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 40 42 1 0 42 43 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 1 10 60 1 0 11 61 1 6 12 62 1 0 13 63 1 0 13 64 1 0 14 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 16 69 1 0 16 70 1 0 17 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 19 76 1 0 23 77 1 0 23 78 1 0 24 79 1 1 25 80 1 0 26 81 1 0 26 82 1 0 30 83 1 0 30 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 41104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 43111 1 0 M END