65063 -OEChem-10051720223D 33 34 0 1 0 0 0 0 0999 V2000 -3.5899 -1.5118 0.1252 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.3378 1.1731 1.0234 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6722 4.0287 -0.0282 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7278 -0.2308 0.6099 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7074 1.4377 0.3962 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6244 -2.2410 -0.9476 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7368 -0.8450 -0.7995 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0983 -2.3894 1.2314 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 -3.1142 -0.3238 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 0.3159 0.1806 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -0.8290 0.0369 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 2.7627 -0.6633 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4433 1.7670 0.3157 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5175 2.1643 -0.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8867 1.5045 0.3535 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2115 0.6484 -0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0805 0.3913 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0382 -0.9041 -0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6853 -2.0589 -0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1618 -2.0694 -0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4507 2.9189 -1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 2.2534 1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4224 1.4203 -1.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2717 2.8951 -1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4215 2.2161 0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 0.0918 -1.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0472 1.0787 -0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2303 4.6174 -0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -0.9216 -0.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7605 -0.8001 0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1601 -2.9936 -0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9074 -3.0956 -1.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4560 -1.4140 -1.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 16 1 0 0 0 0 5 17 2 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 9 20 2 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 13 16 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 M END > DB03800 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JSRLJPSBLDHEIO-SHYZEUOFSA-N/SDF?record_type=3d > O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O > InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 > JSRLJPSBLDHEIO-SHYZEUOFSA-N > C9H13N2O8P > 308.1819 > 308.040951914 > 7 > 33 > -1.9188306224218876 > 25.855873865751356 > 1 > 4 > 0 > 0 > {[(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid > -1.42 > -1.6381701099999995 > -1.59 > 0 > -2 > 2 > -2 > 6.258419473521287 > 1.2327576080872753 > -3.2403439429113363 > 145.63 > 61.927800000000005 > 4 > 1 > 7.97e+00 g/l > biotin > 0 $$$$