59748399 -OEChem-03192405242D 35 37 0 1 0 0 0 0 0999 V2000 6.3888 -0.9404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1213 -3.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1075 -2.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6418 3.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1328 0.3238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1408 1.9333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4032 0.0137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4387 -0.6282 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8483 -1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4335 -2.2463 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3855 -1.9404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1926 -2.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1881 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1931 1.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7204 1.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4144 2.2606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4384 2.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4294 0.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8786 -0.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3889 -1.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3862 -1.8487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8704 -2.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9389 -1.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -2.9600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5376 -3.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3404 1.1225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 2.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5347 -3.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5381 -0.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4415 2.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8346 2.1840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6079 -2.4931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0404 -0.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 3.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 29 1 0 0 0 0 3 13 1 0 0 0 0 3 33 1 0 0 0 0 17 4 1 1 0 0 0 4 35 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 6 15 1 0 0 0 0 6 16 2 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 7 30 1 0 0 0 0 8 18 1 0 0 0 0 8 19 2 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 6 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 15 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 34 1 0 0 0 0 M END > 59748399 > 1 > 356 > 6 > 4 > 2 > AAADceBzuAAAAAAAAAAAAAAAAAAAAWJAAAAAAAAABAAAAACBgAAAHgAQCAAACBzhlgYFsBfMFgCgAQZhZAQAgC0xEKABUIA4WAiDfAJAyAEeQAAPAALTUCCwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol > (8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol > (8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol > (8R)-3-[(5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol > (8R)-3-[(5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol > (8R)-3-[(5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol > InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6?,7-,8-,9?/m1/s1 > FPVKHBSQESCIEP-OMRMXDSLSA-N > -2.1 > 268.11715500 > C11H16N4O4 > 268.27 > C1C(C(OC1N2C=NC3=C2NC=NCC3O)CO)O > C1[C@H](C2=C(NC=N1)N(C=N2)C3CC([C@H](O3)CO)O)O > 112 > 268.11715500 > 0 > 19 > 2 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 13 6 14 15 8 11 2 3 17 4 5 5 14 8 5 16 8 9 5 3 6 15 8 6 16 8 $$$$