70976698 -OEChem-05072417332D 70 71 0 1 0 0 0 0 0999 V2000 9.1972 8.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 17.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 16.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 13.2769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 12.2769 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7331 11.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 10.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 13.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 11.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 14.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 15.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 10.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 9.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 16.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 14.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 10.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 8.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 9.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 16.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 15.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 16.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 3.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1962 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 12.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 11.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 12.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 10.8846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 10.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 13.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 13.8846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 13.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 12.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 11.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 11.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 14.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 15.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 11.3969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 8.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 16.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 14.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 10.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 8.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 14.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4082 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6592 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 8.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 18.0869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 4.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 16.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3722 5.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7522 6.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 61 1 0 0 0 0 2 23 1 0 0 0 0 2 63 1 0 0 0 0 26 3 1 1 0 0 0 3 64 1 0 0 0 0 4 25 1 0 0 0 0 4 66 1 0 0 0 0 5 31 1 0 0 0 0 5 70 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 40 1 0 0 0 0 7 27 1 0 0 0 0 7 34 1 0 0 0 0 7 60 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 14 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 13 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 48 1 0 0 0 0 17 21 2 0 0 0 0 17 49 1 0 0 0 0 18 23 1 0 0 0 0 18 50 1 0 0 0 0 19 24 2 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 58 1 0 0 0 0 30 32 2 0 0 0 0 30 59 1 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 33 65 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 M END > 70976698 > 1 > 434 > 7 > 7 > 10 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHgAQCAAADDzhmAYyBoLAAgCAAiBCAAACAAAgIAAIiIAOiIgLNiKCkROEcAEk0BGZmAfQ0LIOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;4-[2-[[3-(4-hydroxyphenyl)-1-methyl-propyl]amino]ethyl]benzene-1,2-diol > 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol > 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol > 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol > 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;3-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]phenol > 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;4-[2-[[3-(4-hydroxyphenyl)-1-methyl-propyl]amino]ethyl]pyrocatechol > InChI=1S/C18H23NO3.C9H13NO2/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;1-10-6-9(12)7-3-2-4-8(11)5-7/h4-9,12-13,19-22H,2-3,10-11H2,1H3;2-5,9-12H,6H2,1H3/t;9-/m.0/s1 > WDKDGPIEUOEFAQ-NPULLEENSA-N > 468.26242225 > C27H36N2O5 > 468.6 > CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O.CNCC(C1=CC(=CC=C1)O)O > CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O.CNC[C@@H](C1=CC(=CC=C1)O)O > 125 > 468.26242225 > 0 > 34 > 1 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 14 16 8 14 17 8 15 18 8 15 19 8 16 20 8 17 21 8 18 23 8 19 24 8 20 22 8 21 22 8 23 25 8 24 25 8 28 29 8 28 30 8 29 31 8 26 3 5 30 32 8 31 33 8 32 33 8 8 12 3 $$$$