66961749 -OEChem-04242407482D 110112 0 1 0 0 0 0 0999 V2000 1.4030 8.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9507 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6827 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2217 12.2282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.7424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5487 5.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6183 12.3538 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2019 11.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6721 12.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6183 10.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6721 11.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9290 13.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9075 13.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8061 12.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8061 10.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5753 12.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2611 14.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 12.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 11.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2181 14.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5538 12.9725 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5718 14.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5503 15.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8645 13.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.7424 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 8.2424 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0010 8.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 10.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 11.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5487 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6827 4.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.4148 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6827 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4148 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2808 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5487 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5487 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6827 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2308 12.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6628 11.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6628 11.9638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3673 10.1775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1557 10.4351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8061 13.1691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8061 9.9291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0490 12.4386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8066 12.1910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6545 13.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4031 12.3591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4031 10.7391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8248 14.5890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1605 13.1003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1577 15.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7429 15.7947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4538 13.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0571 14.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2752 14.1156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 9.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8283 12.3560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0291 11.6389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 7.7674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 7.7674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 10.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 10.5524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1771 8.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 9.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 9.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 11.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 11.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 11.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 9.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 9.4324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1771 10.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 7.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 7.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 5.4324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7608 4.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1593 4.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8778 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.5524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0118 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.9324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0348 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4148 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7948 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9708 5.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8177 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5908 6.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2798 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0857 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0857 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4137 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2196 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 88 1 0 0 0 0 2 38 1 0 0 0 0 2 96 1 0 0 0 0 3 40 1 0 0 0 0 3 98 1 0 0 0 0 4 42 1 0 0 0 0 4107 1 0 0 0 0 5 49 1 0 0 0 0 5109 1 0 0 0 0 6 51 1 0 0 0 0 6110 1 0 0 0 0 7 24 1 0 0 0 0 7 72 1 0 0 0 0 7 73 1 0 0 0 0 8 28 1 0 0 0 0 8 31 1 0 0 0 0 8 77 1 0 0 0 0 9 41 1 0 0 0 0 9 43 1 0 0 0 0 9 97 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 52 1 0 0 0 0 11 13 1 0 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 19 1 0 0 0 0 16 23 2 0 0 0 0 17 21 1 0 0 0 0 17 57 1 0 0 0 0 18 22 1 0 0 0 0 18 58 1 0 0 0 0 19 24 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 25 1 0 0 0 0 20 61 1 0 0 0 0 21 22 2 0 0 0 0 21 62 1 0 0 0 0 22 63 1 0 0 0 0 23 26 1 0 0 0 0 23 64 1 0 0 0 0 24 27 1 0 0 0 0 24 65 1 0 0 0 0 25 26 2 0 0 0 0 25 66 1 0 0 0 0 26 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 71 1 0 0 0 0 29 32 1 0 0 0 0 29 74 1 0 0 0 0 30 33 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 31 78 1 0 0 0 0 32 36 2 0 0 0 0 32 37 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 34 82 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 36 38 1 0 0 0 0 36 89 1 0 0 0 0 37 39 2 0 0 0 0 37 90 1 0 0 0 0 38 40 2 0 0 0 0 39 40 1 0 0 0 0 39 91 1 0 0 0 0 41 42 1 0 0 0 0 41 92 1 0 0 0 0 41 93 1 0 0 0 0 42 44 1 0 0 0 0 42 94 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 43 95 1 0 0 0 0 44 47 2 0 0 0 0 44 48 1 0 0 0 0 45 99 1 0 0 0 0 45100 1 0 0 0 0 45101 1 0 0 0 0 46102 1 0 0 0 0 46103 1 0 0 0 0 46104 1 0 0 0 0 47 49 1 0 0 0 0 47105 1 0 0 0 0 48 50 2 0 0 0 0 48106 1 0 0 0 0 49 51 2 0 0 0 0 50 51 1 0 0 0 0 50108 1 0 0 0 0 M END > 66961749 > 1 > 697 > 9 > 9 > 12 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAYAAAAAwYMGAAAAAAGABVAAAHgAQCAAADTzhmAYyBoLAAgCAAiBCAAACAAAgIAAIiIAOiIgLNiKCkROEcAEk0BGZmAfQ8PcOoAABAAAQQABAAAIAACCAAQAACAAAAA== > 4-[1-hydroxy-2-(isopropylamino)butyl]benzene-1,2-diol;4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol;1-(2-indan-1-ylphenyl)propan-2-amine > 1-[2-(2,3-dihydro-1H-inden-1-yl)phenyl]-2-propanamine;4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol > 1-[2-(2,3-dihydro-1H-inden-1-yl)phenyl]propan-2-amine;4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol > 1-[2-(2,3-dihydro-1H-inden-1-yl)phenyl]propan-2-amine;4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol > 1-[2-(2,3-dihydro-1H-inden-1-yl)phenyl]propan-2-amine;4-[1-oxidanyl-2-(propan-2-ylamino)butyl]benzene-1,2-diol;4-[1-oxidanyl-2-(propan-2-ylamino)ethyl]benzene-1,2-diol > 4-[1-hydroxy-2-(isopropylamino)butyl]pyrocatechol;4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;[2-(2-indan-1-ylphenyl)-1-methyl-ethyl]amine > InChI=1S/C18H21N.C13H21NO3.C11H17NO3/c1-13(19)12-15-7-3-5-9-17(15)18-11-10-14-6-2-4-8-16(14)18;1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9;1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h2-9,13,18H,10-12,19H2,1H3;5-8,10,13-17H,4H2,1-3H3;3-5,7,11-15H,6H2,1-2H3 > HNXLBWOPSHCOMQ-UHFFFAOYSA-N > 701.44038661 > C42H59N3O6 > 701.9 > CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C.CC(C)NCC(C1=CC(=C(C=C1)O)O)O.CC(CC1=CC=CC=C1C2CCC3=CC=CC=C23)N > CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C.CC(C)NCC(C1=CC(=C(C=C1)O)O)O.CC(CC1=CC=CC=C1C2CCC3=CC=CC=C23)N > 172 > 701.44038661 > 0 > 51 > 0 > 5 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 29 1 3 10 15 3 12 14 8 12 17 8 14 18 8 15 16 8 15 20 8 16 23 8 17 21 8 18 22 8 20 25 8 21 22 8 23 26 8 25 26 8 28 30 3 32 36 8 32 37 8 36 38 8 37 39 8 38 40 8 39 40 8 42 4 3 44 47 8 44 48 8 47 49 8 48 50 8 49 51 8 50 51 8 24 7 3 $$$$