HMDB0035438 RDKit 3D Promucosine 47 50 0 0 0 0 0 0 0 0999 V2000 6.0342 -0.2124 -0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7847 -0.7979 -0.5976 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7157 -0.0708 -0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8945 1.1724 0.0326 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4651 -0.6763 0.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3277 -2.1071 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2496 -2.6556 0.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0119 -1.9345 0.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2361 -2.4620 0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3172 -1.6194 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5823 -2.1622 -0.0741 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 -3.5334 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -0.2530 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2535 0.5744 -0.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6159 0.9167 -1.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9128 0.2654 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1213 -0.5788 0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4015 0.1578 0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1118 1.4010 -0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3931 1.6539 0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8984 2.3765 -1.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5275 3.5110 -0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 4.1117 0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 5.2053 0.5612 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2619 3.4150 1.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6296 2.2723 1.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1291 -0.0424 -2.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8522 -0.9093 -0.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1703 0.7369 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2779 -2.6456 0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9282 -2.3328 -0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 -2.3560 2.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1685 -3.7416 0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3641 -3.5100 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 -4.1757 -0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0508 -3.7574 1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8087 -3.7510 -0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5249 0.2941 -1.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8825 1.9929 -1.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8423 0.6788 -2.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5509 0.4352 1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2389 1.2202 -1.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7181 2.2725 0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7259 1.9209 -1.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8922 4.0249 -1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 3.8605 2.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2927 1.8148 2.3844 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 2 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 2 0 18 5 1 0 26 20 1 0 17 8 1 0 20 16 1 0 1 27 1 0 1 28 1 0 1 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 9 34 1 0 12 35 1 0 12 36 1 0 12 37 1 0 15 38 1 0 15 39 1 0 15 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 21 44 1 0 22 45 1 0 25 46 1 0 26 47 1 0 M END