157 Mrv0541 02241213022D 19 19 0 0 0 0 999 V2000 0.0494 0.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4907 -0.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3008 -0.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8409 -1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1911 -1.5404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9211 -0.1372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5895 -1.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6479 -0.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3997 0.4865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9189 1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2126 1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2217 0.4161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5426 1.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8596 -0.1372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1296 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 0.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9131 -0.0797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 0.3159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 8 16 2 0 0 0 0 13 9 1 6 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 1 0 0 0 10 17 1 6 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 1 0 0 0 15 16 1 1 0 0 0 15 19 1 1 0 0 0 M END > DB06861 > drugbank > [H][C@](CCCCC(N)=N)(C=O)[C@@]1([H])CCC[C@]1([H])O > InChI=1S/C12H22N2O2/c13-12(14)7-2-1-4-9(8-15)10-5-3-6-11(10)16/h8-11,16H,1-7H2,(H3,13,14)/t9-,10+,11-/m0/s1 > FCDJKFJACUMSOZ-AXFHLTTASA-N > C12H22N2O2 > 226.3153 > 226.168127958 > 4 > 38 > 0.9999986604238222 > 25.68559600379541 > 1 > 3 > 0 > 1 > (6R)-6-[(1R,2S)-2-hydroxycyclopentyl]-7-oxoheptanimidamide > 0.80 > 0.430713011666667 > -2.71 > 0 > 1 > 1 > 1 > 17.993376018427718 > 14.929825114707457 > 12.876835889707236 > 87.17 > 73.54729999999999 > 7 > 1 > 4.37e-01 g/l > biotin > 0 > DB06861 > experimental > 6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE $$$$