10030135 -OEChem-05142410282D 59 65 0 1 0 0 0 0 0999 V2000 6.1409 -2.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7709 -3.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4911 -2.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5373 -1.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7095 -3.9696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8665 1.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4811 -0.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7716 3.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4642 1.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0072 0.3392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1411 -1.1608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0072 -1.6608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2311 -1.6677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1411 -0.1608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0232 -2.7023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8732 -1.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2231 -2.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1252 -3.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 -0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3710 -1.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7671 -1.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6089 0.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0526 -3.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7671 0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3552 -3.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6732 -1.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6732 -0.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7420 1.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2062 -0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5045 -4.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6170 0.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7550 -3.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6732 2.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6170 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6198 -1.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 -3.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6471 3.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6001 2.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6170 3.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6001 3.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2395 -1.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1411 0.6892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8291 -2.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0072 0.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6871 -0.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8376 -0.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0548 -1.6910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7600 -2.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8651 -4.4264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 -3.7062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6450 -3.2060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4935 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5349 -2.3050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6595 -3.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6098 4.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1358 3.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7596 4.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0023 1.8423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 1 0 0 0 12 1 1 1 0 0 0 2 18 1 0 0 0 0 2 32 1 0 0 0 0 3 25 1 0 0 0 0 3 52 1 0 0 0 0 4 26 1 0 0 0 0 4 53 1 0 0 0 0 5 25 2 0 0 0 0 6 28 2 0 0 0 0 7 31 2 0 0 0 0 8 37 1 0 0 0 0 8 58 1 0 0 0 0 9 38 1 0 0 0 0 9 59 1 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 20 1 6 0 0 0 13 41 1 0 0 0 0 14 22 1 0 0 0 0 14 42 1 1 0 0 0 15 18 1 0 0 0 0 15 23 1 0 0 0 0 15 43 1 1 0 0 0 16 19 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 19 24 2 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 26 1 0 0 0 0 21 48 1 0 0 0 0 22 29 3 0 0 0 0 23 30 3 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 26 27 2 0 0 0 0 27 31 1 0 0 0 0 28 33 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 31 34 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 34 1 0 0 0 0 33 37 2 0 0 0 0 34 38 2 0 0 0 0 35 36 2 0 0 0 0 35 54 1 0 0 0 0 36 55 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 40 2 0 0 0 0 39 56 1 0 0 0 0 40 57 1 0 0 0 0 M END > 10030135 > 1 > 1440 > 10 > 5 > 2 > AAADceB6PAAAAAAAAAAAAAAAEgAAAAAAAAA8YMECBYgAAADxQAAAHgAQCAAADWzBmAYyzoLABgDIEqTSSAiCCAAlIAAIiIEOTMgKJj7CtJuHcchn4BHY+Uf//ffewUADQAAaAACCgAaAADQAAAAAAAAAAA== > (2R,4S,5S,8R,11Z,15S)-21,24,28-trihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,11,17,20,22,24,27-octaen-9,13-diyne-6-carboxylic acid > (2R,4S,5S,8R,11Z,15S)-21,24,28-trihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,11,17,20,22,24,27-octaen-9,13-diyne-6-carboxylic acid > (2R,4S,5S,8R,11Z,15S)-21,24,28-trihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,11,17,20,22,24,27-octaen-9,13-diyne-6-carboxylic acid > (2R,4S,5S,8R,11Z,15S)-21,24,28-trihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,11,17,20,22,24,27-octaen-9,13-diyne-6-carboxylic acid > (2R,4S,5S,8R,11Z,15S)-7-methoxy-5-methyl-21,24,28-tris(oxidanyl)-19,26-bis(oxidanylidene)-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,11,17,20,22,24,27-octaen-9,13-diyne-6-carboxylic acid > (2R,4S,5S,8R,11Z,15S)-21,24,28-trihydroxy-19,26-diketo-7-methoxy-5-methyl-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,11,17,20,22,24,27-octaen-9,13-diyne-6-carboxylic acid > InChI=1S/C30H19NO9/c1-12-19(28(37)38)27(39-2)13-7-5-3-4-6-8-18-29(12)30(13,40-29)14-11-17(34)22-23(24(14)31-18)26(36)21-16(33)10-9-15(32)20(21)25(22)35/h3-4,9-13,18,31-34H,1-2H3,(H,37,38)/b4-3-/t12-,13+,18-,29-,30+/m0/s1 > AFMYMMXSQGUCBK-AKMKHHNQSA-N > 3.3 > 537.10598118 > C30H19NO9 > 537.5 > CC1C(=C(C2C#CC=CC#CC3C14C2(O4)C5=CC(=C6C(=C5N3)C(=O)C7=C(C=CC(=C7C6=O)O)O)O)OC)C(=O)O > C[C@H]1C(=C([C@H]2C#C/C=C\C#C[C@H]3[C@]14[C@]2(O4)C5=CC(=C6C(=C5N3)C(=O)C7=C(C=CC(=C7C6=O)O)O)O)OC)C(=O)O > 166 > 537.10598118 > 0 > 40 > 5 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 11 1 5 12 1 5 13 20 6 14 42 5 15 43 5 16 19 8 16 21 8 19 24 8 21 26 8 24 27 8 26 27 8 33 34 8 33 37 8 34 38 8 37 39 8 38 40 8 39 40 8 $$$$