HMDB0036263 RDKit 3D Annoglabasin C 63 66 0 0 0 0 0 0 0 0999 V2000 4.5536 3.4756 1.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5967 2.5672 0.9406 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 1.2145 0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9653 0.8174 1.2226 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8568 0.2193 0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4275 -1.0907 0.3414 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5864 -1.3790 -0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2169 -2.7302 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1793 -0.5051 -1.0381 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 0.2634 1.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 0.7277 0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4107 1.6876 0.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7116 1.0262 1.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3654 0.3618 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8034 0.1409 0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4805 1.4397 -0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2895 0.0710 1.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6231 0.1645 2.7252 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6715 -0.1252 1.8823 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3824 -1.0083 -0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5535 -1.5929 -1.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1001 -1.4987 -1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5073 -0.8226 -0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4177 -1.8371 0.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1841 -0.2598 -0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7962 -1.3046 -1.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9246 -0.5934 -1.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4459 0.5907 -1.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3467 1.5894 -0.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3079 3.7805 2.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4365 4.4171 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5857 3.1295 1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9461 -3.2697 0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3205 -2.6456 -0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8757 -3.2823 -1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4154 -0.7146 1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 0.9959 1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0664 2.0705 1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 2.5663 0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4608 0.2708 2.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3611 1.8137 1.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1802 1.0956 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4988 1.2397 -0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9076 1.8426 -1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4217 2.2258 0.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9203 -1.0381 2.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3768 -0.6905 -0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6394 -1.8136 0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8441 -2.6837 -1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8875 -1.1618 -2.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6114 -2.5214 -1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6673 -1.0214 -2.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4596 -1.9864 1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1352 -2.8428 0.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7946 -1.6128 1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4785 0.2739 -1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2873 -1.9194 -1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1327 -1.9823 -0.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5673 -0.2094 -2.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7423 -1.2882 -2.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2228 1.0726 -1.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 1.8046 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7187 2.4756 -0.3205 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 5 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 17 19 1 0 15 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 5 1 0 25 11 1 0 29 11 1 0 23 14 1 0 1 30 1 0 1 31 1 0 1 32 1 0 8 33 1 0 8 34 1 0 8 35 1 0 10 36 1 0 10 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 16 43 1 0 16 44 1 0 16 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 21 49 1 0 21 50 1 0 22 51 1 0 22 52 1 0 24 53 1 0 24 54 1 0 24 55 1 0 25 56 1 0 26 57 1 0 26 58 1 0 27 59 1 0 27 60 1 0 28 61 1 0 29 62 1 0 29 63 1 0 M END