HMDB0038185 RDKit 3D Ocimen quintoxide 29 29 0 0 0 0 0 0 0 0999 V2000 2.9100 -1.3967 1.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8728 -0.0803 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7072 0.3680 -0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6892 1.6936 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4889 -0.4495 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1431 -0.7846 -1.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6121 -0.8317 -0.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 0.1146 0.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7918 -0.3455 1.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0449 1.5299 -0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4521 0.1640 0.9034 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9556 -1.6002 1.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6299 -2.2257 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 -1.4173 1.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8073 0.4983 0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5301 2.3328 -0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8037 1.5851 -1.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 2.2603 -0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7714 -1.4071 0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -1.7888 -1.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0837 -0.0558 -1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8718 -1.8539 -0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -0.5072 -1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9275 0.3702 2.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -0.2956 0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6806 -1.3781 1.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5103 1.6867 -1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1374 1.5963 -0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6372 2.2182 0.6242 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 11 5 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 4 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 10 29 1 0 M END