HMDB0296965 RDKit 3D DG(2:0/0:0/18:1(12Z)-2OH(9,10)) 72 71 0 0 0 0 0 0 0 0999 V2000 -10.7590 -0.7018 -0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7258 -0.0725 0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7726 -1.1665 0.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6808 -0.7344 1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8014 0.3750 1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2207 -0.1718 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9315 -0.3168 -0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9335 0.0892 0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9982 1.1800 0.1989 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1231 1.4433 1.2571 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2991 0.9064 -1.0777 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1915 0.7098 -2.1492 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 -0.2490 -1.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2011 -0.1629 -0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 1.0382 -0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 0.9681 -1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0456 -0.2477 -2.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2065 -0.2320 -1.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1247 -1.4230 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2745 -1.3588 -0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1273 -2.2743 -0.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4068 -0.3696 0.4968 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3131 -0.0317 1.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6134 0.4890 0.9761 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4807 1.6748 0.1971 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4307 -0.5072 0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7725 -0.0608 0.0182 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6040 0.1778 1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0116 0.6554 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2449 0.0161 2.2599 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2856 -0.9007 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0979 -1.6599 -0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6358 -0.0420 -0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2676 0.3727 1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1886 0.6875 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4075 -1.6528 -0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3646 -1.9533 1.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0043 -1.5986 1.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0963 -0.3446 2.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5580 1.1971 0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1485 0.6891 1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9256 -0.4967 -0.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6238 -0.7711 -1.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2285 -0.7899 0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2840 0.3848 1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6171 2.0858 0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3733 0.9801 2.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6901 1.8146 -1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9039 1.3961 -2.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9906 -0.3381 -2.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8905 -1.2299 -0.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5307 -0.1301 0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4643 -1.0529 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4852 1.1364 0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0425 1.9561 -0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 1.0894 -2.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8114 1.9082 -1.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4114 -0.2387 -3.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4512 -1.1461 -1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7866 -0.3658 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7584 0.7137 -1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5805 -1.3260 -2.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5957 -2.3758 -1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4713 -0.8846 2.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8183 0.8120 2.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1657 0.8296 1.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1003 1.4134 -0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9536 -0.5785 -0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4053 -1.4737 0.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3539 1.2492 1.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6158 -0.2670 0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9588 1.2586 -0.1642 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 1 0 28 30 2 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 6 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 9 46 1 6 10 47 1 0 11 48 1 6 12 49 1 0 13 50 1 0 13 51 1 0 14 52 1 0 14 53 1 0 15 54 1 0 15 55 1 0 16 56 1 0 16 57 1 0 17 58 1 0 17 59 1 0 18 60 1 0 18 61 1 0 19 62 1 0 19 63 1 0 23 64 1 0 23 65 1 0 24 66 1 1 25 67 1 0 26 68 1 0 26 69 1 0 29 70 1 0 29 71 1 0 29 72 1 0 M END