117176 -OEChem-05052400302D 65 64 0 1 0 0 0 0 0999 V2000 8.8900 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 3.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7560 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 6.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 4.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6221 7.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 3.6200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7560 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1580 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7560 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6221 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4881 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8900 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1580 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4881 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3541 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8900 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1580 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8900 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1580 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5440 7.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1455 6.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5474 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9459 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9681 5.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3666 5.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4100 8.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0115 8.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0896 6.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8866 6.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7780 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1580 5.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7981 8.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0250 8.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1781 9.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6641 6.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8911 7.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0441 7.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 4.5266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 3.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3516 5.5220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6613 5.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4270 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4270 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 3.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 4.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 6.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 2 62 1 0 0 0 0 3 18 2 0 0 0 0 4 29 1 0 0 0 0 4 63 1 0 0 0 0 5 29 2 0 0 0 0 6 31 1 0 0 0 0 6 64 1 0 0 0 0 7 32 1 0 0 0 0 7 65 1 0 0 0 0 8 31 2 0 0 0 0 9 32 2 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 20 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 21 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 22 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 29 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 27 1 0 0 0 0 23 57 1 0 0 0 0 24 28 2 0 0 0 0 24 58 1 0 0 0 0 25 31 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 32 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 30 2 0 0 0 0 27 59 1 0 0 0 0 28 30 1 0 0 0 0 28 60 1 0 0 0 0 30 61 1 0 0 0 0 M END > 117176 > 1 > 473 > 10 > 4 > 14 > AAADcfB6PAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAACAAADUThmAYyCIMABgCIAiDSCAICAAAgAAAIiAFIAIgLIDaAFRCDYAAl4AGZiAfL7uCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > citric acid;2-(diethylamino)ethyl 2-phenylbutanoate > 2-hydroxypropane-1,2,3-tricarboxylic acid;2-phenylbutanoic acid 2-(diethylamino)ethyl ester > 2-(diethylamino)ethyl 2-phenylbutanoate;2-hydroxypropane-1,2,3-tricarboxylic acid > 2-(diethylamino)ethyl 2-phenylbutanoate;2-hydroxypropane-1,2,3-tricarboxylic acid > 2-(diethylamino)ethyl 2-phenylbutanoate;2-oxidanylpropane-1,2,3-tricarboxylic acid > citric acid;2-phenylbutyric acid 2-(diethylamino)ethyl ester > InChI=1S/C16H25NO2.C6H8O7/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) > VVNURWKSPYZZCI-UHFFFAOYSA-N > 455.21553163 > C22H33NO9 > 455.5 > CCC(C1=CC=CC=C1)C(=O)OCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O > CCC(C1=CC=CC=C1)C(=O)OCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O > 162 > 455.21553163 > 0 > 32 > 0 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 11 13 3 17 23 8 17 24 8 23 27 8 24 28 8 27 30 8 28 30 8 $$$$