70408482 -OEChem-04262404512D 117121 0 1 0 0 0 0 0999 V2000 12.2587 8.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2587 1.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9811 10.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9811 3.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4649 8.6515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4649 1.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7314 9.6030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7314 2.9110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5558 9.2475 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5558 2.5554 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5404 9.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5404 2.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2314 8.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2314 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9163 7.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9163 0.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3366 10.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3366 3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2911 9.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2911 3.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2314 8.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2314 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9368 7.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9368 0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9223 9.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9223 2.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9069 9.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9069 2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0719 10.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0719 4.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5464 7.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5464 0.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2457 9.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2457 2.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6089 10.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6089 3.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2040 8.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2040 1.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5259 7.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5259 0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 10.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.8334 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4030 6.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3864 6.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1427 6.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3864 0.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1427 0.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0020 10.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7644 9.9842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0020 4.0531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7644 3.2922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5759 10.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7982 10.3012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5759 3.7839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7982 3.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9553 6.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5506 7.4003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9553 0.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5506 0.7082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7314 10.2230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7314 3.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4921 10.4449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5279 11.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6518 11.3567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4921 3.7529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5279 4.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6518 4.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7448 6.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7448 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2239 10.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6377 10.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2239 3.5892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6377 4.1293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5980 8.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5980 1.9180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1128 7.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1128 0.3338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7692 11.0262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0283 10.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4974 9.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7692 4.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0283 3.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4974 3.1243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5729 10.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5729 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.9534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 3.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 3.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 2.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 2.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 4.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.2964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 5.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.4534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.6434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 6.6434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 8.8703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 8.6434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 7.7964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 9.6434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 25 1 0 0 0 0 2 12 1 0 0 0 0 2 26 1 0 0 0 0 3 35 1 0 0 0 0 3 98 1 0 0 0 0 4 36 1 0 0 0 0 4 99 1 0 0 0 0 5 35 2 0 0 0 0 6 36 2 0 0 0 0 7 57 1 0 0 0 0 7117 1 0 0 0 0 8 57 2 0 0 0 0 9 13 1 0 0 0 0 9 27 1 0 0 0 0 9 74 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 10 75 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 12 22 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 26 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 31 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 20 32 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 35 1 0 0 0 0 21 66 1 0 0 0 0 21 67 1 0 0 0 0 22 36 1 0 0 0 0 22 68 1 0 0 0 0 22 69 1 0 0 0 0 23 27 1 0 0 0 0 23 33 2 0 0 0 0 24 28 1 0 0 0 0 24 34 2 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 29 37 1 0 0 0 0 29 39 1 0 0 0 0 30 38 1 0 0 0 0 30 40 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 33 41 1 0 0 0 0 33 82 1 0 0 0 0 34 42 1 0 0 0 0 34 83 1 0 0 0 0 37 43 1 0 0 0 0 37 84 1 0 0 0 0 37 85 1 0 0 0 0 38 44 1 0 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 39 41 2 0 0 0 0 39 88 1 0 0 0 0 40 42 2 0 0 0 0 40 89 1 0 0 0 0 41 90 1 0 0 0 0 42 91 1 0 0 0 0 43 92 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 44 95 1 0 0 0 0 44 96 1 0 0 0 0 44 97 1 0 0 0 0 45 46 1 0 0 0 0 45 48 1 0 0 0 0 45 49 1 0 0 0 0 45100 1 0 0 0 0 46 47 1 0 0 0 0 46101 1 0 0 0 0 46102 1 0 0 0 0 47 51 2 0 0 0 0 47 52 1 0 0 0 0 48103 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 49106 1 0 0 0 0 49107 1 0 0 0 0 49108 1 0 0 0 0 50 53 1 0 0 0 0 50 54 2 0 0 0 0 50 55 1 0 0 0 0 51 54 1 0 0 0 0 51109 1 0 0 0 0 52 55 2 0 0 0 0 52110 1 0 0 0 0 53 56 1 0 0 0 0 53 57 1 0 0 0 0 53111 1 0 0 0 0 54112 1 0 0 0 0 55113 1 0 0 0 0 56114 1 0 0 0 0 56115 1 0 0 0 0 56116 1 0 0 0 0 M END > 70408482 > 1 > 602 > 8 > 5 > 12 > AAADcfB/PAAAAAAAAAAAAAAAAAAAAWLAAAA0aMECAAAAAFgB/gAAHgAQCAAADUyhngIyyPLJlgCoAyTyTASCgCAhACAImSEgTJgKJvbAtZmHcAhl4AHY6Ae82POOwAACAAACAACAAAQAAAQAAAAAAAAAAA== > 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid;2-(4-isobutylphenyl)propanoic acid > 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid > 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid > 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid > 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid > 2-(1,8-diethyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid;2-(4-isobutylphenyl)propionic acid > InChI=1S/2C17H21NO3.C13H18O2/c2*1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12;1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h2*5-7,18H,3-4,8-10H2,1-2H3,(H,19,20);4-7,9-10H,8H2,1-3H3,(H,14,15) > HLYWHFZCWYIFKS-UHFFFAOYSA-N > 780.43496688 > C47H60N2O8 > 781.0 > CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O.CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O.CC(C)CC1=CC=C(C=C1)C(C)C(=O)O > CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O.CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O.CC(C)CC1=CC=C(C=C1)C(C)C(=O)O > 162 > 780.43496688 > 0 > 57 > 0 > 3 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 10 14 8 10 28 8 11 19 3 12 20 3 13 15 8 14 16 8 15 23 8 16 24 8 23 27 8 23 33 8 24 28 8 24 34 8 27 29 8 28 30 8 29 39 8 30 40 8 33 41 8 34 42 8 39 41 8 40 42 8 47 51 8 47 52 8 50 54 8 50 55 8 51 54 8 52 55 8 53 56 3 9 13 8 9 27 8 $$$$