HMDB0036466 RDKit 3D Zerumbone oxide 39 40 0 0 0 0 0 0 0 0999 V2000 3.1639 0.6523 1.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4343 0.0985 0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 1.0974 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2532 0.8577 -1.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 1.8662 -1.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2303 1.5779 -1.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0514 2.6989 -2.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6313 1.6162 0.1492 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9909 0.6134 -0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6982 -0.8178 -0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0222 -1.4393 0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -2.4798 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6175 -0.6244 1.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 -2.3087 -0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3328 -2.2050 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 -1.3104 0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4052 -1.9227 0.9435 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1331 1.0641 1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5356 1.4061 2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -0.1219 2.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1427 2.1677 0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 1.1414 -2.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 -0.1603 -1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5003 2.7373 -0.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3929 2.4202 -2.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0949 2.3692 -2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9149 3.6199 -1.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 2.8350 -3.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1424 0.7373 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6211 -1.4614 -0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1655 -1.0361 -1.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9019 -1.9508 1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1318 -3.3171 0.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5001 -2.8270 2.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2777 -1.1284 2.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3969 -0.6890 2.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2863 0.4069 1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4841 -3.1297 -0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8027 -3.0536 -0.6332 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 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 2 1 0 9 6 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 7 26 1 0 7 27 1 0 7 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 12 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 M END