Mrv1652309072217152D 32 33 0 0 0 0 999 V2000 -1.4289 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1842 -6.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 -6.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9626 -7.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 4 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 3 31 1 0 0 0 0 31 32 2 0 0 0 0 M END > NP0251916 > NP-MRD > COC1=C(CC(O)(CO)CC1=O)NC(CCC(O)=N)COC1C(O)C(O)C(O)OC1CO > InChI=1S/C19H32N2O11/c1-30-16-10(4-19(29,8-23)5-11(16)24)21-9(2-3-13(20)25)7-31-17-12(6-22)32-18(28)15(27)14(17)26/h9,12,14-15,17-18,21-23,26-29H,2-8H2,1H3,(H2,20,25) > WWWNCXCUDMPGJY-UHFFFAOYSA-N > C19H32N2O11 > 464.468 > 464.200609858 > 13 > 64 > 45.5526993060551 > 0 > 9 > 0 > 0 > 4-{[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]amino}-5-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}pentanimidic acid > -7.050862059648266 > 0 > 2 > 0 > 11.276243925584557 > -0.554442842721441 > 12.950928359096377 > 222.24999999999997 > 118.86509999999997 > 11 > 0 > 4-{[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]amino}-5-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}pentanimidic acid > 0 > NP0251916 > 4-{[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]amino}-5-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}pentanimidic acid $$$$