Mrv1652310091706582D 22 24 0 0 0 0 999 V2000 5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 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 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 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 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 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 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 O 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 4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 2 0 0 0 0 5 4 2 0 0 0 0 10 2 1 0 0 0 0 10 6 1 0 0 0 0 10 7 2 0 0 0 0 11 4 1 0 0 0 0 11 8 2 0 0 0 0 12 9 2 0 0 0 0 12 11 1 0 0 0 0 13 6 1 0 0 0 0 13 12 1 0 0 0 0 14 3 1 0 0 0 0 15 7 1 0 0 0 0 15 14 2 0 0 0 0 16 9 1 0 0 0 0 17 8 1 0 0 0 0 17 16 2 0 0 0 0 18 5 1 0 0 0 0 18 13 2 0 0 0 0 19 14 1 0 0 0 0 20 15 1 0 0 0 0 21 16 1 0 0 0 0 22 1 1 0 0 0 0 22 17 1 0 0 0 0 M END > NP0069275 > NP-MRD > COC1=C(O)C=C2C(CC3=CC(O)=C(O)C=C3)=NC=CC2=C1 > InChI=1S/C17H15NO4/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10/h2-5,7-9,19-21H,6H2,1H3 > JRVVRZZAHKIELX-UHFFFAOYSA-N > C17H15NO4 > 297.31 > 297.100107967 > 5 > 37 > 30.546808888893594 > 1 > 3 > 0 > 1 > 4-[(7-hydroxy-6-methoxyisoquinolin-1-yl)methyl]benzene-1,2-diol > 2.51 > 2.642392903666666 > -3.41 > 0 > 3 > 0 > 9.569703376087608 > 8.95802272324951 > 6.0362166811467075 > 82.81000000000002 > 82.0706 > 3 > 1 > 1.16e-01 g/l > 4-[(7-hydroxy-6-methoxyisoquinolin-1-yl)methyl]benzene-1,2-diol > 0 > NP0069275 > Turcomanine $$$$