HMDB0060736 RDKit 3D 3-(4-Hydroxy-3-methoxyphenyl)-2-methyllactic acid 30 30 0 0 0 0 0 0 0 0999 V2000 3.4250 0.8867 2.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4456 -0.2547 1.1846 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3556 -0.5470 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2453 0.2601 0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1591 -0.0043 -0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9556 0.9240 -0.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 0.6223 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6662 -0.7342 0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 0.7667 1.8022 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0994 1.6358 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4887 2.4347 1.1492 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6921 1.6691 -0.9663 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1903 -1.1390 -1.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2933 -1.9325 -1.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3737 -1.6662 -0.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4874 -2.4840 -0.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1308 1.7611 1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4605 1.0622 2.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7954 0.7383 2.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2472 1.1425 0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5746 1.9433 -0.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.9759 -1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7208 -0.7491 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7405 -0.9826 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1388 -1.5396 0.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0738 0.1096 2.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5605 2.5287 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6672 -1.2997 -1.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3146 -2.8251 -1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4899 -3.3030 -1.0101 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 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 10 11 2 0 10 12 1 0 5 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 3 1 0 1 17 1 0 1 18 1 0 1 19 1 0 4 20 1 0 6 21 1 0 6 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 12 27 1 0 13 28 1 0 14 29 1 0 16 30 1 0 M END