HMDB0039523 RDKit 3D Isomelitric acid A 61 63 0 0 0 0 0 0 0 0999 V2000 3.8463 1.7407 -2.6347 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9069 0.9433 -2.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5806 1.4962 -2.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5133 0.7991 -1.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8256 1.3139 -1.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0939 2.6521 -1.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3849 3.1576 -1.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4224 2.3323 -1.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7164 2.7815 -1.0407 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1566 0.9623 -1.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2146 0.1314 -0.7824 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0074 -1.2226 -0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1421 -1.8147 0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5056 -1.1095 1.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9722 0.0489 2.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4458 0.6503 3.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4772 0.0828 4.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9459 0.6826 5.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0375 -1.0905 3.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0792 -1.6237 4.3397 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5547 -1.6549 2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6336 -1.9740 -1.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5302 -1.3583 -2.9529 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3988 -3.3273 -1.8372 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 0.5016 -1.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2476 -0.3927 -2.2628 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6034 -0.7933 -2.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1151 -1.6046 -1.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.8536 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9141 -0.9554 0.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8197 -0.2709 1.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8744 0.5147 2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7977 1.2099 3.5758 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0298 0.6313 1.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0877 1.4318 2.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0896 -0.0645 0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 -1.6705 -3.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5669 -1.9293 -4.2826 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8001 -2.2323 -4.1563 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4395 2.5611 -2.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6711 -0.2871 -1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3474 3.3906 -2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5799 4.2280 -1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4422 2.1510 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9682 -2.8997 0.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1503 0.4985 1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0044 1.5671 3.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6952 0.3020 5.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5483 -2.4980 4.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0160 -2.5710 2.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 -3.9450 -1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6288 -0.5610 -1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2723 0.0480 -2.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2120 -1.7713 -1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6721 -2.5976 -1.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0765 -1.5604 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9484 -0.3246 2.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5493 1.7720 3.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9064 1.4700 1.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9931 0.0228 -0.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5326 -1.6601 -4.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 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 12 22 1 0 22 23 2 0 22 24 1 0 10 25 2 0 2 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 2 0 27 37 1 0 37 38 2 0 37 39 1 0 25 5 1 0 36 29 1 0 21 14 1 0 3 40 1 0 4 41 1 0 6 42 1 0 7 43 1 0 9 44 1 0 13 45 1 0 15 46 1 0 16 47 1 0 18 48 1 0 20 49 1 0 21 50 1 0 24 51 1 0 25 52 1 0 27 53 1 0 28 54 1 0 28 55 1 0 30 56 1 0 31 57 1 0 33 58 1 0 35 59 1 0 36 60 1 0 39 61 1 0 M END