HMDB0036046 RDKit 3D Dehydrooreadone 35 37 0 0 0 0 0 0 0 0999 V2000 -3.0575 0.8457 0.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8271 -0.0278 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4086 -1.1717 -0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4113 -0.5994 1.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3721 -0.1945 2.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3996 0.9033 1.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0607 1.6321 2.4083 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 1.1656 0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7102 0.5880 -0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6001 -0.7472 -0.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5476 -1.0639 -1.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -0.0128 -1.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7987 0.7483 -0.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 -1.4809 -0.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6161 -0.5122 0.1141 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7198 0.3720 0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4102 1.4987 1.0938 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6201 1.0110 -0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6938 0.2730 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 1.8270 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1137 -0.8075 -1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -1.8878 -0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0658 -1.7355 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9941 -1.4161 1.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0823 -0.6241 3.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 2.2749 0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1947 1.2575 -1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4876 -2.0644 -2.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3706 -0.3574 -2.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 0.7511 -2.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3362 1.6699 -0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5879 -2.3323 0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3421 -1.8368 -1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2689 -0.1849 1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3126 2.2390 0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 10 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 13 2 1 0 13 8 1 0 16 9 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 5 25 1 0 8 26 1 0 9 27 1 0 11 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 16 34 1 0 17 35 1 0 M END