71308206 -OEChem-05132407252D 80 81 0 1 0 0 0 0 0999 V2000 7.2828 -2.9142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1138 -0.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2091 0.6415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4505 -0.6199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7464 1.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8524 -0.1198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4505 1.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5463 -0.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8524 2.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9864 1.3801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4919 0.4154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9899 -2.2071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9558 -2.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6629 -1.7588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7311 -1.2412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8650 -0.7412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7184 -1.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1402 -0.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 -1.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7184 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1330 -0.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1330 0.2588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5844 -0.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8524 -0.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5416 -3.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 0.9659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2670 -1.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8524 0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5844 0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7184 1.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5813 1.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2884 2.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4158 0.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9864 2.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3165 -0.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5656 0.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1203 2.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2543 2.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1203 3.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3910 -2.0466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -3.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4637 -2.8215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9298 -1.1992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 -1.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3034 -0.3028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7724 -2.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3378 -1.5928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6687 -0.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8161 -0.3778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6116 -1.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 -1.8612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 0.4348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0550 0.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8281 -0.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7363 0.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6175 -0.0856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9427 -4.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7021 -4.4790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1405 -3.7197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1957 0.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -0.7042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 -1.5512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5770 -1.7781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7184 2.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9824 2.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4494 1.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 3.2378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6265 -0.6568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8534 0.1901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0065 0.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2099 0.3071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0734 0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9212 1.3228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3352 1.7654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7403 3.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1203 4.5001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5003 3.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 1.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 1 26 1 0 0 0 0 15 2 1 1 0 0 0 2 56 1 0 0 0 0 23 3 1 6 0 0 0 3 34 1 0 0 0 0 4 24 1 0 0 0 0 4 36 1 0 0 0 0 27 5 1 6 0 0 0 5 37 1 0 0 0 0 6 25 2 0 0 0 0 7 30 2 0 0 0 0 8 34 2 0 0 0 0 9 35 2 0 0 0 0 10 29 1 0 0 0 0 10 35 1 0 0 0 0 10 67 1 0 0 0 0 11 34 1 0 0 0 0 11 79 1 0 0 0 0 11 80 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 6 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 6 0 0 0 16 46 1 0 0 0 0 17 21 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 22 2 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 27 1 0 0 0 0 23 57 1 0 0 0 0 24 30 1 0 0 0 0 25 29 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 32 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 31 65 1 0 0 0 0 32 33 2 3 0 0 0 32 66 1 0 0 0 0 33 39 1 0 0 0 0 33 68 1 0 0 0 0 35 38 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 M END > 71308206 > 1 > 1150 > 9 > 3 > 5 > AAADcfB7PAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQCAAADRyhgAICCALABgCIAqVSWAKACAAgIgAICAHAAEkJFBIAoSQMUAAExACLocOYyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(4E,8S,9S,10Z,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate > carbamic acid [(4E,8S,9S,10Z,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] ester > [(4E,8S,9S,10Z,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate > [(4E,8S,9S,10Z,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate > [(4E,8S,9S,10Z,12S,13R,14S,16R)-8,14,19-trimethoxy-4,10,12,16-tetramethyl-13-oxidanyl-3,20,22-tris(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate > carbamic acid [(4E,8S,9S,10Z,12S,13R,14S,16R)-13-hydroxy-3,20,22-triketo-8,14,19-trimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] ester > InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8?,16-9+,18-13-/t15-,17+,22+,23+,24-,26+/m1/s1 > QTQAWLPCGQOSGP-QZJJZKHZSA-N > 2 > 560.27338086 > C29H40N2O9 > 560.6 > CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC > C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(\[C@@H]([C@H](C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)\C)OC)OC(=O)N)/C)C)O)OC > 164 > 560.27338086 > 0 > 40 > 6 > 0 > 2 > 1 > 0 > 1 > 470 > 1 5 255 > 12 1 6 14 18 6 16 20 6 15 2 5 23 3 6 32 33 1 27 5 6 $$$$