HMDB0259705 RDKit 3D N-(2-Hydroxy-5-((1S)-1-hydroxy-2-(((1R)-2-(4-methoxyphenyl)-1-methylethyl)ami... 49 50 0 0 0 0 0 0 0 0999 V2000 7.8116 1.2067 -0.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1029 0.7945 0.8562 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7209 0.6194 0.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9892 0.8349 -0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6082 0.6540 -0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9222 0.2561 0.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4471 0.0819 0.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0452 -1.3026 0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6631 -1.5783 -1.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3945 -1.3663 0.2222 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -1.1192 1.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5715 -1.2237 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3568 -1.0218 2.3088 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0975 -0.2327 0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3743 0.6506 -0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9727 1.5148 -1.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 1.5176 -1.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8973 2.4058 -2.5088 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1270 0.6050 -0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5201 0.6194 -1.0814 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4420 -0.2035 -0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1885 -1.0655 0.4405 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4816 -0.2390 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6585 0.0418 1.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0321 0.2210 1.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8622 1.4606 -0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3009 2.0763 -0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8176 0.3825 -1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5115 1.1523 -1.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0468 0.8270 -1.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 0.7641 -0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0511 0.4422 1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -2.0770 1.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3435 -0.7755 -1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2761 -2.5332 -1.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7663 -1.5533 -1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6442 -2.2927 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8163 -0.2265 1.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8751 -1.9801 2.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8414 -2.2299 0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1486 -1.5827 2.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 0.6754 -0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3879 2.2342 -2.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8279 2.5424 -2.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9201 1.3056 -1.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5236 -0.1234 -0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0678 -0.9427 0.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1282 -0.2682 2.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 0.0516 2.8600 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 19 23 2 0 6 24 1 0 24 25 2 0 25 3 1 0 23 14 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 13 41 1 0 15 42 1 0 16 43 1 0 18 44 1 0 20 45 1 0 21 46 1 0 23 47 1 0 24 48 1 0 25 49 1 0 M END