HMDB0259871 RDKit 3D Vomitoxin 41 44 0 0 0 0 0 0 0 0999 V2000 4.4123 0.0256 -0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9716 -0.2050 -0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1336 -0.6607 -1.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7619 -0.8083 -0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1331 -1.3917 -1.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2481 -1.8329 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4503 -1.1223 -1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5157 -1.3050 -0.5411 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9026 0.3146 -1.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2151 0.3282 0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8497 1.3341 1.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4054 -1.0984 0.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4635 -1.5335 1.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0579 -1.5988 1.8055 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2657 0.5089 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7056 1.7207 -0.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3652 1.8209 -2.0775 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9595 0.6082 1.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1276 1.9579 1.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3259 0.0582 1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9666 -0.1956 2.2722 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8897 0.0934 0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8955 -0.8165 -0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6190 0.9828 -0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5238 -0.8661 -2.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8288 -1.5433 0.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3718 -2.9041 -0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5726 -1.3897 -2.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3983 -1.3463 -0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2331 0.4196 -2.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7404 1.0480 -1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1268 2.2254 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1946 1.7220 1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7905 0.9754 1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0784 -0.9344 2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8976 -2.5652 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8324 1.8251 -0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3894 2.6698 -0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0904 1.4583 -2.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4015 0.0632 2.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1797 1.9575 2.7117 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 10 15 1 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 20 2 1 0 15 4 1 0 12 6 1 0 14 12 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 4 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 11 32 1 0 11 33 1 0 11 34 1 0 13 35 1 0 13 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 M END