71044144 -OEChem-04262421392D 60 64 0 1 0 0 0 0 0999 V2000 8.6732 3.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 4.8485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1652 3.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5492 4.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -4.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0312 1.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3088 -0.5214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9957 -3.5562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6733 3.2861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7633 2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8972 1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8972 3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2942 1.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7633 1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6880 0.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0312 2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1632 2.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8812 4.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6813 4.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2628 -0.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8642 -1.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8941 -1.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6532 1.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4096 -2.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1632 2.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4138 -2.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5407 -2.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0360 -3.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1088 -3.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1631 2.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 -4.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 1.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7577 0.8014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3002 1.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6335 2.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6427 2.8073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6632 4.9011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 4.2052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6454 -0.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1199 1.8703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3370 1.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1866 1.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5781 2.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2637 1.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4647 -2.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8141 -2.4903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1566 -2.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4747 -3.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1559 1.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7830 2.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1703 3.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9429 -3.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3826 -3.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0571 -4.2657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0673 -4.7306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 -4.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0795 -4.0142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 -4.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 1 0 0 0 1 26 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 17 2 0 0 0 0 4 20 2 0 0 0 0 5 29 1 0 0 0 0 5 60 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 16 2 0 0 0 0 7 23 1 0 0 0 0 8 27 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 21 2 0 0 0 0 18 24 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 28 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 27 1 0 0 0 0 25 29 2 0 0 0 0 26 31 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 30 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 M END > 71044144 > 1 > 899 > 7 > 1 > 5 > AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAA8QIEAAAAAAFix8AAAHgAACAAADEzhngYyzvMIFgCoAyXyXAKCgCAhIiAImCF+bNgJZvbC8ZeWcAhm5hHK+QewwPAOgEABQAAaAAAAgAKAADQAAAAAAAAAAA== > (19S)-8-[(dimethylamino)methyl]-19-ethoxy-19-ethyl-7-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione > (19S)-8-[(dimethylamino)methyl]-19-ethoxy-19-ethyl-7-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione > (19S)-8-[(dimethylamino)methyl]-19-ethoxy-19-ethyl-7-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione > (19S)-8-[(dimethylamino)methyl]-19-ethoxy-19-ethyl-7-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione > (19S)-8-[(dimethylamino)methyl]-19-ethoxy-19-ethyl-7-oxidanyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione > (19S)-8-[(dimethylamino)methyl]-19-ethoxy-19-ethyl-7-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-quinone > InChI=1S/C25H27N3O5/c1-5-25(33-6-2)18-10-20-22-14(11-28(20)23(30)17(18)13-32-24(25)31)9-15-16(12-27(3)4)21(29)8-7-19(15)26-22/h7-10,29H,5-6,11-13H2,1-4H3/t25-/m0/s1 > CDBBBUNSAKSONK-VWLOTQADSA-N > 1.4 > 449.19507097 > C25H27N3O5 > 449.5 > CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)OCC > CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)OCC > 92.2 > 449.19507097 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 9 1 5 10 12 8 10 14 8 11 14 8 12 17 8 15 16 8 15 21 8 21 22 8 22 23 8 22 25 8 23 28 8 25 29 8 28 30 8 29 30 8 6 11 8 6 17 8 7 16 8 7 23 8 $$$$