20369793 -OEChem-03282418282D 64 64 0 1 0 0 0 0 0999 V2000 8.8070 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 5.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 4.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 4.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.4050 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7511 4.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1496 4.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 4.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 4.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0250 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7850 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9611 5.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5811 6.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 5.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1771 6.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2099 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 57 1 0 0 0 0 2 12 1 0 0 0 0 2 58 1 0 0 0 0 3 25 1 0 0 0 0 3 61 1 0 0 0 0 4 26 1 0 0 0 0 4 62 1 0 0 0 0 5 29 1 0 0 0 0 5 63 1 0 0 0 0 6 30 1 0 0 0 0 6 64 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 39 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 40 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 15 1 0 0 0 0 11 35 1 0 0 0 0 12 16 1 0 0 0 0 12 36 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 37 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 38 1 0 0 0 0 15 21 2 0 0 0 0 15 23 1 0 0 0 0 16 22 2 0 0 0 0 16 24 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 25 1 0 0 0 0 21 53 1 0 0 0 0 22 26 1 0 0 0 0 22 54 1 0 0 0 0 23 27 2 0 0 0 0 23 55 1 0 0 0 0 24 28 2 0 0 0 0 24 56 1 0 0 0 0 25 29 2 0 0 0 0 26 30 2 0 0 0 0 27 29 1 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 M END > 20369793 > 1 > 187 > 8 > 8 > 8 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADDzhmAYyBoLAAgCAAiBCAAACAAAgIAAIiIAOiIgLNiKCkROEcAEk0BGZmAfQ8LYOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > 4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol > 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol > 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol > 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol > 4-[1-oxidanyl-2-(propan-2-ylamino)ethyl]benzene-1,2-diol > 4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol > InChI=1S/2C11H17NO3/c2*1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h2*3-5,7,11-15H,6H2,1-2H3 > MFFYSNZASKQSBM-UHFFFAOYSA-N > 422.24168681 > C22H34N2O6 > 422.5 > CC(C)NCC(C1=CC(=C(C=C1)O)O)O.CC(C)NCC(C1=CC(=C(C=C1)O)O)O > CC(C)NCC(C1=CC(=C(C=C1)O)O)O.CC(C)NCC(C1=CC(=C(C=C1)O)O)O > 145 > 422.24168681 > 0 > 30 > 0 > 2 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 11 1 3 15 21 8 15 23 8 16 22 8 16 24 8 12 2 3 21 25 8 22 26 8 23 27 8 24 28 8 25 29 8 26 30 8 27 29 8 28 30 8 $$$$