Mrv1652302242018262D 14 15 0 0 0 0 999 V2000 9997.0764 9999.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9996.8215 9998.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9997.3735 9998.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9998.1805 9998.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9998.295810000.3109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9997.8834 9999.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9998.4354 9998.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9999.1891 9999.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9999.102810000.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9999.9036 9998.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10000.6180 9999.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10001.3324 9998.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10001.3325 9998.0814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10002.0469 9999.3189 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 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 4 7 1 0 0 0 0 6 1 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M END > FDB000941 > foodb > OC(=O)CCC1=CNC2=C1C=CC=C2 > InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14) > GOLXRNDWAUTYKT-UHFFFAOYSA-N > C11H11NO2 > 189.2105 > 189.078978601 > 2 > 25 > 20.00041471857803 > 1 > 2 > 0 > 1 > 3-(1H-indol-3-yl)propanoic acid > 2.04 > 2.154324763333333 > -2.42 > 0 > 2 > -1 > 16.175193522886932 > 4.8029322038078455 > 53.089999999999996 > 53.05310000000001 > 3 > 1 > 7.27e-01 g/l > indolylpropionic acid > 0 > FDB000941 > 1H-Indole-3-propanoic acid $$$$