Mrv2104 05032310272D 14 15 0 0 0 0 999 V2000 -0.9375 0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6519 0.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6519 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 0.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5615 -0.6005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0464 0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5616 0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8163 -1.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2642 -1.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 1.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2647 2.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6237 1.6902 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 8 9 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 5 7 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 9 12 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 M END > PHUB002951 > phytohub > CON1CC(C(O)=O)C2=C1C=CC=C2 > InChI=1/C10H11NO3/c1-14-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-5,8H,6H2,1H3,(H,12,13) > MBWPYHNLTNVDMH-UHFFFAOYNA-N > C10H11NO3 > 193.202 > 193.073893218 > 4 > 25 > -0.9985879117001722 > 19.413671654378998 > 1 > 1 > 0 > 1 > 1-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid > 1.5015997506666665 > 0 > -1 > 2 > -1 > 4.150475555921 > -4.292063165859975 > 49.769999999999996 > 60.72830000000001 > 2 > 1 > 1-methoxy-2,3-dihydroindole-3-carboxylic acid > 0 $$$$