151897 -OEChem-04232418272D 83 88 0 1 0 0 0 0 0999 V2000 9.4651 -0.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7566 -3.4096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3519 1.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8389 -0.9365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2699 -4.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2697 -4.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1784 2.5644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7257 0.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.9839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2432 -2.5359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -1.9840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3352 -2.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.4840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -0.9839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1351 -1.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2352 -0.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1070 -0.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -0.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.9839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -1.9840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2237 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7565 -3.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9672 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0839 1.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9556 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7564 -3.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0558 2.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8597 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9476 2.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8557 2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9184 3.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7974 2.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8474 4.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7932 3.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7948 -1.2950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7239 -1.9218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1284 -2.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -2.5666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 -1.8763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3598 -2.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7429 -1.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.6740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -1.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -0.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 0.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -1.0209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1367 -3.4191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -3.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -1.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -3.0209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3357 -3.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6393 -2.7699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3448 1.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8461 -1.5565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3744 4.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3343 2.3412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8896 -4.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8378 4.8877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3277 4.0503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 6 0 0 0 20 1 1 1 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 17 3 1 6 0 0 0 26 3 1 6 0 0 0 4 26 1 0 0 0 0 4 30 1 0 0 0 0 16 5 1 6 0 0 0 5 67 1 0 0 0 0 19 6 1 6 0 0 0 6 68 1 0 0 0 0 29 7 1 1 0 0 0 7 76 1 0 0 0 0 8 31 1 0 0 0 0 8 77 1 0 0 0 0 9 33 1 0 0 0 0 9 78 1 0 0 0 0 10 32 2 0 0 0 0 11 38 1 0 0 0 0 11 81 1 0 0 0 0 12 39 2 0 0 0 0 13 40 2 0 0 0 0 28 14 1 1 0 0 0 14 74 1 0 0 0 0 14 75 1 0 0 0 0 15 18 1 0 0 0 0 15 24 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 22 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 19 21 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 34 1 6 0 0 0 22 55 1 0 0 0 0 23 25 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 25 2 0 0 0 0 24 31 1 0 0 0 0 25 33 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 30 37 1 1 0 0 0 30 63 1 0 0 0 0 31 35 2 0 0 0 0 32 38 1 0 0 0 0 33 36 2 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 35 36 1 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 42 44 2 0 0 0 0 43 45 1 0 0 0 0 43 79 1 0 0 0 0 44 46 1 0 0 0 0 44 80 1 0 0 0 0 45 46 2 0 0 0 0 45 82 1 0 0 0 0 46 83 1 0 0 0 0 M END > 151897 > 1 > 1170 > 14 > 7 > 6 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADBQAAAHgAQCAAADHzxmAcyDoBABgCIAqBSAAICAAAkIAAIiIFECMgbNzaCtRqicUAn8BEPuYfL7PzOwQADAAAYAADCAAYQADAAAAAAAAAAAA== > (7S,9S)-7-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione > (7S,9S)-7-[[(2R,4S,5S,6S)-5-[[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-8,10-dihydro-7H-tetracene-5,12-dione > (7S,9S)-7-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione > (7S,9S)-7-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione > (7S,9S)-7-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione > (7S,9S)-7-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-quinone > InChI=1S/C32H37NO13/c1-12-26(37)17(33)7-21(43-12)46-31-13(2)44-22(8-18(31)35)45-19-10-32(42,20(36)11-34)9-16-23(19)30(41)25-24(29(16)40)27(38)14-5-3-4-6-15(14)28(25)39/h3-6,12-13,17-19,21-22,26,31,34-35,37,40-42H,7-11,33H2,1-2H3/t12-,13-,17-,18-,19-,21-,22-,26+,31+,32-/m0/s1 > VQHRZZISQVWPLK-UIRGBLDSSA-N > 1.2 > 643.22649023 > C32H37NO13 > 643.6 > CC1C(C(CC(O1)OC2C(OC(CC2O)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=CC=CC=C6C5=O)O)(C(=O)CO)O)C)N)O > C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2O)O[C@H]3C[C@@](CC4=C3C(=C5C(=C4O)C(=O)C6=CC=CC=C6C5=O)O)(C(=O)CO)O)C)N)O > 236 > 643.22649023 > 0 > 46 > 10 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 1 6 20 1 5 28 14 5 22 34 6 24 25 8 24 31 8 25 33 8 17 3 6 26 3 6 30 37 5 31 35 8 33 36 8 35 36 8 41 42 8 41 43 8 42 44 8 43 45 8 44 46 8 45 46 8 16 5 6 19 6 6 29 7 5 $$$$