HMDB0039883 RDKit 3D Ascorbyl palmitate 67 67 0 0 0 0 0 0 0 0999 V2000 -6.8149 4.1176 -1.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7935 3.4266 -0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5745 2.4472 0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9838 1.6241 1.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8994 0.6624 0.9407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5842 1.1703 0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6246 -0.0249 0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4278 -0.7318 1.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4528 -1.8964 1.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -1.3739 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -2.5337 0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3753 -3.4948 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -4.6534 -0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4501 -4.6166 -1.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6296 -3.8089 -1.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4947 -2.3617 -1.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5311 -1.8031 -1.8531 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5516 -1.5500 -0.8912 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5949 -0.1609 -1.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9068 0.3135 -0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9521 -0.0521 0.8824 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0807 1.8130 -0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0512 2.3329 -1.8326 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0346 3.2918 -1.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 3.9575 -2.8635 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4139 3.3666 -0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3755 4.1977 -0.1191 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0354 2.4904 0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8139 2.1884 1.5949 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7708 4.2766 -1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8930 3.5635 -2.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3908 5.1177 -1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4702 4.2469 0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0353 3.0717 -1.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2037 1.8300 -0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4096 3.0549 0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6849 2.2325 2.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8470 1.0063 1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6702 0.2258 1.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2256 -0.2603 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 1.6609 -0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1432 1.8551 1.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 0.3337 -0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0835 -0.7432 -0.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0714 -0.0659 2.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4093 -1.2101 1.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9571 -2.5261 0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4112 -2.4819 2.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -0.6766 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1537 -0.8286 -0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8762 -2.1745 0.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7486 -3.0438 1.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1225 -2.8890 -1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 -3.8676 0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5084 -5.3734 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 -5.2732 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8144 -5.7186 -1.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2013 -4.4628 -2.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5376 -4.2068 -1.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9644 -3.8861 0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4722 0.1263 -2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7221 0.2663 -0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7051 -0.2191 -1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -0.8799 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0514 2.0285 -0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4941 5.1690 0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5820 2.3836 2.2365 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 26 28 2 0 28 29 1 0 28 22 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 10 50 1 0 11 51 1 0 11 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 13 56 1 0 14 57 1 0 14 58 1 0 15 59 1 0 15 60 1 0 19 61 1 0 19 62 1 0 20 63 1 0 21 64 1 0 22 65 1 0 27 66 1 0 29 67 1 0 M END