HMDB0304913 RDKit 3D 27 28 0 0 0 0 0 0 0 0999 V2000 3.8095 0.5390 1.7513 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7334 1.8400 1.0198 S 0 0 0 0 0 6 0 0 0 0 0 0 3.3662 2.9217 2.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2496 2.2787 0.3938 O 0 0 0 0 0 1 0 0 0 0 0 0 2.5502 1.8494 -0.1946 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8111 0.7541 -0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1582 -0.1370 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3435 -1.2107 -1.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1502 -1.4243 -1.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7942 -2.3793 -1.2546 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7801 -2.1685 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4278 -1.0036 0.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2587 -0.3841 1.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 0.7276 0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2311 1.6792 0.2231 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2212 -0.5385 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6066 0.5396 0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0929 0.0348 -2.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6215 -1.9209 -2.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7579 -3.1705 -1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6796 -2.7589 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8535 -1.1157 1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5425 0.0987 2.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7967 1.1622 1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6513 0.2735 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 2.2995 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3097 1.2140 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 12 16 1 0 16 17 2 0 17 6 1 0 16 9 1 0 7 18 1 0 8 19 1 0 10 20 1 0 11 21 1 0 13 22 1 0 13 23 1 0 14 24 1 0 14 25 1 0 15 26 1 0 17 27 1 0 M CHG 1 4 -1 M END