HMDB0246830 RDKit 3D 4,4-Dimethyl-2-[3-carboxylatopropyl]-2-tridecyloxazolidine 3-oxide 70 70 0 0 0 0 0 0 0 0999 V2000 -6.0093 0.4845 -1.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1326 0.5295 -0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7388 -0.7891 -0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9449 -1.9221 0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2726 -1.8765 1.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1536 -0.9414 1.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9796 -1.2535 0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9535 -0.1982 1.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7081 -0.3457 0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7985 0.7853 0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5202 0.7989 -0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2934 -0.4531 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5715 -0.6147 -0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 0.3124 -0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8694 -0.2189 -1.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3470 -1.5736 -1.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8024 -1.7106 0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -3.0972 0.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7370 -3.3667 1.8012 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3416 -4.0264 -0.3297 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1277 0.4941 0.8101 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8614 1.8045 1.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8731 2.6181 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 3.1629 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9304 3.7778 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4897 1.6492 -1.0417 N 0 0 0 0 0 4 0 0 0 0 0 0 4.3080 1.8418 -2.1259 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.2083 1.1749 -2.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0874 0.7991 -0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8724 -0.5532 -1.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9614 1.1402 -1.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9430 1.0884 0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2993 -1.1238 -1.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6159 -0.6440 0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2293 -2.2196 -0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6381 -2.8412 0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0359 -2.9094 1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0689 -1.5362 2.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6714 -1.0512 2.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3881 0.1040 1.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5385 -2.2136 1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2681 -1.3737 -0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6559 -0.2282 2.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3998 0.7856 0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9179 -0.2767 -0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -1.3377 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6276 0.6933 1.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3305 1.7352 0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 1.6236 0.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3364 1.0254 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6173 -1.2934 -0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3587 -0.7308 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9924 -1.6691 -0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3499 -0.5837 -1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5235 -0.1971 -2.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6954 0.5408 -1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 -1.8407 -1.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6384 -2.3892 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8758 -1.5774 1.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5518 -0.9386 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9094 -4.9356 -0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9553 1.8996 1.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7215 2.1429 1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 2.4803 0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3697 4.1947 0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4466 3.2273 -1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5394 3.9918 0.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0811 3.5472 -0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4411 4.6885 -0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 1.7106 -1.4233 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 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 2 0 18 20 1 0 14 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 26 27 1 0 26 14 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 6 39 1 0 6 40 1 0 7 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 9 45 1 0 9 46 1 0 10 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 12 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 15 55 1 0 15 56 1 0 16 57 1 0 16 58 1 0 17 59 1 0 17 60 1 0 20 61 1 0 22 62 1 0 22 63 1 0 24 64 1 0 24 65 1 0 24 66 1 0 25 67 1 0 25 68 1 0 25 69 1 0 26 70 1 0 M CHG 2 26 1 27 -1 M END