447545 -OEChem-05082418442D 81 87 0 1 0 0 0 0 0999 V2000 4.7150 3.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6736 4.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0443 3.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1576 -1.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2026 5.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4468 -0.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5148 -3.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4153 0.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.7697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5021 2.8216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5743 2.4486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -3.2697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -3.7697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4300 3.1946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.2697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -3.2697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -2.2697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5010 -0.9036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4898 -0.8006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2771 2.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0959 0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4527 2.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8402 0.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6990 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1033 1.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9811 1.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0965 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6712 4.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3095 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1361 -1.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8040 -2.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7825 -1.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4933 -3.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4503 -2.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0908 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1611 -3.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4727 -2.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1396 -3.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1083 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8040 -1.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1319 -3.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3930 0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7663 2.7126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.9597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -4.0797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2186 3.5117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8385 -1.4238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2668 -1.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8946 2.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7224 2.2318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -3.4597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2662 0.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -1.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -2.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9039 -0.6184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -4.7697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.3897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -4.7697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6714 -0.4251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9685 -4.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5537 -4.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4111 -1.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6657 -3.5827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5406 -3.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5982 -2.7653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3222 -3.8290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5232 -0.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9992 0.6328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2628 1.1087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 1 0 0 0 1 15 1 0 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 19 3 1 6 0 0 0 22 3 1 6 0 0 0 4 18 1 0 0 0 0 4 33 1 0 0 0 0 17 5 1 1 0 0 0 5 65 1 0 0 0 0 20 6 1 1 0 0 0 6 67 1 0 0 0 0 7 24 1 0 0 0 0 7 33 1 0 0 0 0 23 8 1 1 0 0 0 8 36 1 0 0 0 0 9 33 2 0 0 0 0 10 36 2 0 0 0 0 11 39 1 0 0 0 0 11 78 1 0 0 0 0 12 45 1 0 0 0 0 12 48 1 0 0 0 0 16 13 1 6 0 0 0 13 34 1 0 0 0 0 13 60 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 26 1 0 0 0 0 15 30 1 0 0 0 0 15 49 1 6 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 50 1 0 0 0 0 17 20 1 0 0 0 0 17 51 1 0 0 0 0 18 24 1 0 0 0 0 18 52 1 1 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 21 29 1 1 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 56 1 0 0 0 0 23 28 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 27 1 0 0 0 0 25 32 2 0 0 0 0 26 31 3 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 35 3 0 0 0 0 32 35 1 0 0 0 0 32 66 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 39 42 1 0 0 0 0 40 43 1 0 0 0 0 40 44 1 0 0 0 0 41 45 2 0 0 0 0 41 71 1 0 0 0 0 42 44 2 0 0 0 0 42 72 1 0 0 0 0 43 46 2 0 0 0 0 43 47 1 0 0 0 0 44 73 1 0 0 0 0 45 46 1 0 0 0 0 46 74 1 0 0 0 0 47 75 1 0 0 0 0 47 76 1 0 0 0 0 47 77 1 0 0 0 0 48 79 1 0 0 0 0 48 80 1 0 0 0 0 48 81 1 0 0 0 0 M END > 447545 > 1 > 1520 > 13 > 4 > 8 > AAADcfB+PAAAAAAAAAAAAAAAEgAAASIAAAA0YIAAAAAAAEDBUAAAHgAQCAAADHzxmAcyDsLABgDIEiDSCAgCCAAkIAAIiIEOCMgfNzaGtRqncWAn8BEfuQf47PzOoAADAAAYAABAAAYAADAAAAAAAAAAAA== > [(4S,6R,9E,11R,12R)-11-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)tetrahydropyran-2-yl]oxy-4-[(4R)-2-oxo-1,3-dioxolan-4-yl]-5-oxatricyclo[8.3.0.04,6]trideca-1(13),9-dien-2,7-diyn-12-yl] 2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylate > 2-hydroxy-7-methoxy-5-methyl-1-naphthalenecarboxylic acid [(4S,6R,9E,11R,12R)-11-[[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)-2-oxanyl]oxy]-4-[(4R)-2-oxo-1,3-dioxolan-4-yl]-5-oxatricyclo[8.3.0.04,6]trideca-1(13),9-dien-2,7-diyn-12-yl] ester > [(4S,6R,9E,11R,12R)-11-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy-4-[(4R)-2-oxo-1,3-dioxolan-4-yl]-5-oxatricyclo[8.3.0.04,6]trideca-1(13),9-dien-2,7-diyn-12-yl] 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate > [(4S,6R,9E,11R,12R)-11-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy-4-[(4R)-2-oxo-1,3-dioxolan-4-yl]-5-oxatricyclo[8.3.0.04,6]trideca-1(13),9-dien-2,7-diyn-12-yl] 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate > [(4S,6R,9E,11R,12R)-11-[(2R,3R,4R,5R,6R)-6-methyl-3-(methylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-[(4R)-2-oxidanylidene-1,3-dioxolan-4-yl]-5-oxatricyclo[8.3.0.04,6]trideca-1(13),9-dien-2,7-diyn-12-yl] 7-methoxy-5-methyl-2-oxidanyl-naphthalene-1-carboxylate > 2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid [(4S,6R,9E,11R,12R)-11-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)tetrahydropyran-2-yl]oxy-4-[(4R)-2-keto-1,3-dioxolan-4-yl]-5-oxatricyclo[8.3.0.04,6]trideca-1(13),9-dien-2,7-diyn-12-yl] ester > InChI=1S/C35H33NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h6,8-9,12-14,17,24-26,28-31,33,36-39H,15H2,1-4H3/b21-6+/t17-,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1 > QZGIWPZCWHMVQL-UIYAJPBUSA-N > 2 > 659.20027549 > C35H33NO12 > 659.6 > CC1C(C(C(C(O1)OC2C(C=C3C2=CC#CC4C(O4)(C#C3)C5COC(=O)O5)OC(=O)C6=C(C=CC7=C6C=C(C=C7C)OC)O)NC)O)O > C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]\2[C@@H](C=C3/C2=C\C#C[C@@H]4[C@@](O4)(C#C3)[C@H]5COC(=O)O5)OC(=O)C6=C(C=CC7=C6C=C(C=C7C)OC)O)NC)O)O > 175 > 659.20027549 > 0 > 48 > 10 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 14 1 5 16 13 6 15 49 6 18 52 5 21 29 5 19 3 6 22 3 6 37 38 8 37 39 8 38 40 8 38 41 8 39 42 8 40 43 8 40 44 8 41 45 8 42 44 8 43 46 8 45 46 8 17 5 5 20 6 5 23 8 5 $$$$