46902355 -OEChem-05092404302D 62 67 0 1 0 0 0 0 0999 V2000 8.6480 3.9046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9622 2.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6939 -3.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2669 -4.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9654 3.3546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9253 0.4393 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5124 2.2371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2962 2.6114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6200 1.3915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6028 1.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3170 2.1656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3181 2.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 3.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6564 4.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0091 3.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6782 4.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2959 1.9615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0150 3.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 2.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2533 -0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6086 1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9027 0.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3334 4.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5587 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 2.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3191 4.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8867 -1.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5360 -1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1920 -2.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8414 -2.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1694 -3.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3569 -4.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7226 1.9842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2262 1.2614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9878 1.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5748 0.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8821 2.8006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2703 4.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6780 4.9253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9105 5.0884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1524 4.8421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9029 1.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5113 1.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8735 0.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7048 -0.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7714 -0.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5086 0.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0339 0.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0197 0.8177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8024 0.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1975 1.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5691 2.5806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 5.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5152 1.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9056 4.8010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3942 3.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2808 -1.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9527 -1.0061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4473 -2.5487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8540 -4.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6646 -5.0855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 17 2 1 1 0 0 0 2 53 1 0 0 0 0 3 30 1 0 0 0 0 3 33 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 9 6 1 1 0 0 0 6 20 1 0 0 0 0 6 22 1 0 0 0 0 7 12 1 0 0 0 0 7 19 1 0 0 0 0 7 44 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 34 1 6 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 38 1 6 0 0 0 12 15 2 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 21 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 25 2 0 0 0 0 20 24 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 26 1 0 0 0 0 23 54 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 27 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 28 30 1 0 0 0 0 28 58 1 0 0 0 0 29 31 2 0 0 0 0 29 59 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 M END > 46902355 > 1 > 736 > 5 > 2 > 4 > AAADceB7OAAAAAAAAAAAAAAAAAAAAWJAAAA8eIEAAAAAAFix9AAAHgAQCAAADTzhngcyzvPJlgCoAyVyVACCiCAhIiAImSE+7Jgddv7E8Zu0cCpm9hHO6Ae42fOeoAABAAACQABAAAIAAASAAAAAAAAAAA== > (2S,3R,12bS)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-[(1S)-1-hydroxyethyl]-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one > (2S,3R,12bS)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-[(1S)-1-hydroxyethyl]-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one > (2S,3R,12bS)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-[(1S)-1-hydroxyethyl]-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one > (2S,3R,12bS)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-[(1S)-1-hydroxyethyl]-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one > (2S,3R,12bS)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-[(1S)-1-oxidanylethyl]-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one > (2S,3R,12bS)-3-[(1S)-1-hydroxyethyl]-2-[methyl(piperonyl)amino]-2,3,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]beta-carbolin-4-one > InChI=1S/C26H29N3O4/c1-15(30)24-20(28(2)13-16-7-8-22-23(11-16)33-14-32-22)12-21-25-18(9-10-29(21)26(24)31)17-5-3-4-6-19(17)27-25/h3-8,11,15,20-21,24,27,30H,9-10,12-14H2,1-2H3/t15-,20-,21-,24-/m0/s1 > CFNBSJDMYAEBMY-HOOUFKQNSA-N > 3.3 > 447.21580641 > C26H29N3O4 > 447.5 > CC(C1C(CC2C3=C(CCN2C1=O)C4=CC=CC=C4N3)N(C)CC5=CC6=C(C=C5)OCO6)O > C[C@@H]([C@H]1[C@H](C[C@H]2C3=C(CCN2C1=O)C4=CC=CC=C4N3)N(C)CC5=CC6=C(C=C5)OCO6)O > 78 > 447.21580641 > 0 > 33 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 38 6 12 15 8 15 18 8 18 19 8 18 23 8 19 25 8 17 2 5 23 26 8 24 28 8 24 29 8 25 27 8 26 27 8 28 30 8 29 31 8 30 32 8 31 32 8 9 6 5 7 12 8 7 19 8 8 34 6 $$$$