Mrv2104 05272302472D 22 23 0 0 0 0 999 V2000 2.0367 1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0367 2.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 2.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 0.7634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4186 -0.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1637 -1.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6486 -1.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 -2.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 -3.4197 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.2829 -4.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 -2.9348 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1305 -3.9046 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3387 -1.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8538 -1.9986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0837 -0.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -0.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3222 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6078 2.0009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3222 3.2384 0.0000 O 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 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 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 9 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 7 18 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 M CHG 2 14 -1 15 -1 M END > NP0339926 > NP-MRD > NC(=O)C1=CN(C=CC1)C1OC(COP([O-])([O-])=O)C(O)C1O > InChI=1/C11H17N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1,3-4,7-9,11,14-15H,2,5H2,(H2,12,16)(H2,17,18,19)/p-2 > XQHMUSRSLNRVGA-UHFFFAOYNA-L > C11H15N2O8P > 334.222 > 334.057699609 > 8 > 37 > 29.286923334762793 > 1 > 3 > -2 > 0 > [5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate > -2.4417621465339026 > 0 > 2 > -2 > 6.251329275030608 > 1.240880022953498 > -0.23336425863106766 > 168.44 > 70.46679999999999 > 5 > 1 > [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate > 0 > NP0339926 > NMNH $$$$