HMDB0040276 RDKit 3D 5-Acetoxydihydrotheaespirane 44 45 0 0 0 0 0 0 0 0999 V2000 3.8959 1.9816 0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9912 0.8767 0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3605 0.0608 1.4667 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7215 0.7019 0.1057 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8273 -0.3153 0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6127 -0.1086 2.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3952 -1.6604 0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 -2.7921 0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 -2.4401 -0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9743 -1.2549 -0.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4284 -1.0216 -1.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2258 -1.4881 -2.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4824 -0.0607 -0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 1.0792 -1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7243 2.2417 -0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 1.5745 0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 2.3595 1.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4811 0.3080 0.6809 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3085 1.6358 -0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2581 2.8494 -0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 2.1619 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 0.6288 2.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7911 -1.0580 2.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3981 0.2148 2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1005 -1.8768 1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0484 -1.6318 -0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7873 -3.5116 -0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4514 -3.4208 1.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4947 -2.1279 0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4688 -3.3185 -0.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5679 -0.3697 -2.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0183 -0.7540 -0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8185 -2.0352 -1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 -1.6431 -3.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4298 -2.3808 -2.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4389 -0.6314 -2.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1144 1.0427 -1.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6816 1.1852 -1.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0421 2.3983 0.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0088 3.1360 -0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7468 1.6273 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6938 3.3021 1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1668 1.8078 2.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3629 2.7277 1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 13 5 1 0 18 13 1 0 1 19 1 0 1 20 1 0 1 21 1 0 6 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 11 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 12 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 17 44 1 0 M END