CDK 1030232203 27 30 0 0 0 0 0 0 0 0999 V2000 0.5067 -0.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 -0.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -1.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5580 -2.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -0.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3728 -2.1814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7474 -1.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7865 0.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9562 -2.7648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5622 -1.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 -3.5796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6913 -2.3902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4264 -2.7648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5554 -3.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1614 -2.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0362 -4.2207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3702 -3.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7448 -2.9735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3319 -4.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6659 -4.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1467 -5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4807 -4.6079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 6 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 1 0 0 0 6 9 2 0 0 0 0 7 10 1 6 0 0 0 7 11 1 0 0 0 0 12 8 1 0 0 0 0 9 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 6 0 0 0 17 12 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 8 9 1 0 0 0 0 13 17 1 0 0 0 0 22 23 1 0 0 0 0 25 26 1 0 0 0 0 M END > CHEBI:222624 > Griseolic acid > 2 > (2R,3R,3aR,5R)-2-(6-aminopurin-9-yl)-5-[(S)-carboxy(hydroxy)methyl]-3-hydroxy-3,3a-dihydro-2H-uro[3,2-b]uran-5-carboxylic acid > C14H13N5O8 > 379.285 > 379.07641 > 0 > O=C(O)[C@]1(O[C@@H]2[C@@H](O)[C@H](N3C4=NC=NC(=C4N=C3)N)OC2=C1)[C@H](O)C(=O)O > InChI=1S/C14H13N5O8/c15-9-5-10(17-2-16-9)19(3-18-5)11-6(20)7-4(26-11)1-14(27-7,13(24)25)8(21)12(22)23/h1-3,6-8,11,20-21H,(H,22,23)(H,24,25)(H2,15,16,17)/t6-,7+,8-,11-,14-/m1/s1 > IAPZXUKYTCQQFE-FTRAOVNNSA-N $$$$