HMDB0040421 RDKit 3D Safficinolide 49 51 0 0 0 0 0 0 0 0999 V2000 5.4448 0.9894 -0.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5208 0.2214 0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8775 0.0869 1.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 0.2468 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 -0.6043 -1.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2251 -0.7601 -1.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8428 -1.6404 -2.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7343 -2.4136 -2.9627 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3646 0.0116 -0.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8508 0.8669 0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1891 0.9856 0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 1.8379 1.5252 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.6926 1.1171 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3321 1.6205 0.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0946 2.5847 1.0355 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8536 0.3407 0.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3469 0.2993 0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8898 0.6189 1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9494 1.2664 -0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7416 -1.1053 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6027 -2.0241 0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3499 -1.7822 -0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1296 -0.2917 -0.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5601 0.1790 -2.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7993 0.7332 -2.8177 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3559 0.4055 -0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8254 1.9204 -0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 1.2280 -1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8084 -0.9025 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3845 0.7379 2.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0028 0.0649 1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 -0.9649 1.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2732 -1.1879 -1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -1.7133 -2.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0587 2.4061 2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6116 -0.3760 1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2053 0.3004 2.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9061 0.1275 1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1005 1.7162 1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7243 1.8625 -0.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5746 0.7218 -1.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2602 2.0064 -1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 -1.2181 -1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5863 -1.4154 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -2.0385 1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9044 -3.1101 0.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5115 -2.1559 0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3853 -2.4200 -1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5764 0.0447 -2.4413 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 1 0 7 8 2 0 6 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 10 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 11 4 1 0 23 16 1 0 23 9 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 5 33 1 0 7 34 1 0 12 35 1 0 16 36 1 0 18 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 24 49 1 0 M END