HMDB0015234 RDKit 3D Arbutamine 46 47 0 0 0 0 0 0 0 0999 V2000 7.5066 -1.9087 0.9041 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3481 -1.1355 0.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3085 0.0305 0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1758 0.8115 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0105 0.4488 0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8003 1.3062 0.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9891 0.7937 -0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7346 1.6210 -0.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0095 1.0299 -2.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3916 -0.3069 -1.8087 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3715 -0.6036 -0.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7598 -0.1507 -1.1718 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7488 1.2497 -1.3227 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -0.4397 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -1.2886 0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5557 -1.4872 1.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7504 -0.8129 1.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7808 -0.9785 2.6717 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9747 0.0572 0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1926 0.7164 0.6059 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9603 0.2199 -0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0383 -0.7058 1.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1796 -1.4748 1.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1422 -1.6731 1.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2128 0.3197 -0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1706 1.7319 -0.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2416 1.2845 1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1572 2.3531 0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7102 -0.2640 -0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6304 0.7371 -1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 2.6590 -1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 1.5997 0.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7758 0.9991 -2.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7704 1.7148 -2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4344 -0.9334 -1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3716 -1.7279 -0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0931 -0.1706 0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1447 -0.6329 -2.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5533 1.6604 -0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6317 -1.7991 1.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4297 -2.1619 2.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7521 -1.5729 3.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3334 1.3542 -0.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1599 0.9139 -1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1255 -1.0065 1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1422 -2.3768 2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 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 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 19 21 2 0 5 22 1 0 22 23 2 0 23 2 1 0 21 14 1 0 1 24 1 0 3 25 1 0 4 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 6 13 39 1 0 15 40 1 0 16 41 1 0 18 42 1 0 20 43 1 0 21 44 1 0 22 45 1 0 23 46 1 0 M END