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 1 0 0 0 0 M END > NP0339916 > NP-MRD > OCC(O)C1=CNC2=C1C=CC=C2 > InChI=1/C10H11NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,10-13H,6H2 > XNJDZRGYWQBBMZ-UHFFFAOYNA-N > C10H11NO2 > 177.203 > 177.078978598 > 2 > 24 > 18.757205089422104 > 1 > 3 > 0 > 1 > 1-(1H-indol-3-yl)ethane-1,2-diol > 0.6743230996666669 > 0 > 2 > 0 > 15.439112836525862 > 13.736904287566322 > -3.0015791941437895 > 56.25 > 49.92290000000002 > 2 > 1 > 1-(1H-indol-3-yl)ethane-1,2-diol > 0 > NP0339916 > indole-3-glycol $$$$