HMDB0041790 RDKit 3D Violanone 39 41 0 0 0 0 0 0 0 0999 V2000 -1.7930 -0.9530 2.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6873 0.2478 2.1414 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9137 0.0953 0.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9271 0.0532 -0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4289 0.4337 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1725 -0.4372 1.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4004 0.3517 1.3896 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3147 0.3791 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6632 0.4658 0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5275 0.4790 -0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8991 0.5622 -0.3142 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0135 0.4025 -1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6487 0.3174 -1.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7489 0.3081 -0.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3074 0.2167 -1.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9361 -0.0342 -2.2275 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3446 -0.1328 -1.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7517 -0.2697 -1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6961 -0.2199 -0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1534 -0.4717 -1.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9462 0.5444 -0.5898 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2938 -0.0343 0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2521 0.0322 1.4978 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3311 -0.8128 3.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2462 -1.7692 2.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7905 -1.2977 3.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4923 1.4884 0.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4357 -1.3875 0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7487 -0.3973 2.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0620 0.5563 1.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3203 0.6004 0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7367 0.4249 -2.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2593 0.2323 -3.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7823 -0.1721 -2.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0196 -0.4206 -2.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4423 -1.4425 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2714 -0.4159 -2.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5096 1.2785 -0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9639 0.1720 2.4588 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 4 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 10 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 4 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 19 22 2 0 22 23 1 0 22 3 1 0 15 5 1 0 14 8 1 0 1 24 1 0 1 25 1 0 1 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 9 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 17 34 1 0 18 35 1 0 20 36 1 0 20 37 1 0 21 38 1 0 23 39 1 0 M END