Mrv2104 05272302442D 13 14 0 0 0 0 999 V2000 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 0.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 1.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1809 2.1518 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 6 7 2 0 0 0 0 7 8 1 0 0 0 0 3 8 2 0 0 0 0 8 9 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 M END > NP0339917 > NP-MRD > OC(C=O)C1=CNC2=C1C=CC=C2 > InChI=1/C10H9NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-6,10-11,13H > XKZDNWMDLGQXML-UHFFFAOYNA-N > C10H9NO2 > 175.187 > 175.063328534 > 2 > 22 > 17.705528297161976 > 1 > 2 > 0 > 1 > 2-hydroxy-2-(1H-indol-3-yl)acetaldehyde > 0.8359813853333334 > 0 > 2 > 0 > 15.125491373604236 > 12.958873403337888 > -3.687347083108276 > 53.089999999999996 > 48.86490000000001 > 2 > 1 > 3-indoleglycolaldehyde > 0 > NP0339917 > indole-3-glycol aldehyde $$$$