44303783 -OEChem-03282406272D 67 73 0 1 0 0 0 0 0999 V2000 4.8399 0.3816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6890 1.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9210 0.6016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5852 -0.1785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6033 -2.8148 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6890 -1.2644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8229 -0.7644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5550 -0.7644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8229 0.2356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7050 -2.3059 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5550 0.2356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6890 0.7356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0018 -1.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 -1.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2890 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4648 -1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 -2.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2890 0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4891 -2.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0550 1.1016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9049 -2.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3262 -0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5550 1.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5550 1.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8915 -2.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3431 -0.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1317 -1.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8229 2.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5550 1.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0550 2.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0550 2.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9800 -1.5005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8229 1.0856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7100 -2.9259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4050 0.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3902 -1.6444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5607 -1.4781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6956 -0.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0780 -1.3441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6600 -0.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4097 -3.3096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 -3.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 -2.7241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0002 -1.9843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6956 0.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7118 -2.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0973 -2.1641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6627 2.5782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9724 2.1797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0919 2.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2450 2.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0181 1.6576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7371 -3.1783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4580 0.9116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5401 -2.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1330 2.7725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 2.5456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5130 1.6987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4473 1.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1376 1.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1627 3.4442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4724 3.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0550 2.2137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6750 2.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0550 3.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 23 1 0 0 0 0 12 2 1 1 0 0 0 2 29 1 0 0 0 0 21 3 1 6 0 0 0 3 55 1 0 0 0 0 4 27 1 0 0 0 0 4 62 1 0 0 0 0 5 10 1 0 0 0 0 5 18 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 1 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 1 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 33 1 6 0 0 0 9 12 1 0 0 0 0 9 34 1 6 0 0 0 10 17 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 36 1 6 0 0 0 12 19 1 0 0 0 0 13 18 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 22 2 0 0 0 0 14 23 1 0 0 0 0 15 19 2 0 0 0 0 15 39 1 0 0 0 0 16 20 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 22 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 2 0 0 0 0 24 30 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 28 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 M END > 44303783 > 1 > 848 > 5 > 2 > 5 > AAADcfB6OAAAAAAAAAAAAAAAAAAAASAAAAA8eMECAAAWAEjxAAAAHgAACAAAD3zhmAYyBoMABgCAAiBCAAACCAAgIAAIiAAOiIgNJiKGsRuGeCOlwBGLuAfw8P8PoAABAAAYQADQAAaAADSAAAAAAAAAAA== > (1S,7R,8R,9R,12S,21R)-8-[(1R)-1-hydroxy-1-methyl-pentyl]-9-methoxy-20-oxa-4-azaheptacyclo[13.6.1.01,12.04,13.07,12.09,21.019,22]docosa-10,15(22),16,18-tetraen-18-ol > (1S,7R,8R,9R,12S,21R)-8-[(2R)-2-hydroxyhexan-2-yl]-9-methoxy-20-oxa-4-azaheptacyclo[13.6.1.01,12.04,13.07,12.09,21.019,22]docosa-10,15(22),16,18-tetraen-18-ol > (1S,7R,8R,9R,12S,21R)-8-[(2R)-2-hydroxyhexan-2-yl]-9-methoxy-20-oxa-4-azaheptacyclo[13.6.1.01,12.04,13.07,12.09,21.019,22]docosa-10,15(22),16,18-tetraen-18-ol > (1S,7R,8R,9R,12S,21R)-8-[(2R)-2-hydroxyhexan-2-yl]-9-methoxy-20-oxa-4-azaheptacyclo[13.6.1.01,12.04,13.07,12.09,21.019,22]docosa-10,15(22),16,18-tetraen-18-ol > (1S,7R,8R,9R,12S,21R)-9-methoxy-8-[(2R)-2-oxidanylhexan-2-yl]-20-oxa-4-azaheptacyclo[13.6.1.01,12.04,13.07,12.09,21.019,22]docosa-10,15(22),16,18-tetraen-18-ol > (1S,7R,8R,9R,12S,21R)-8-[(1R)-1-hydroxy-1-methyl-pentyl]-9-methoxy-20-oxa-4-azaheptacyclo[13.6.1.01,12.04,13.07,12.09,21.019,22]docosa-10,15(22),16,18-tetraen-18-ol > InChI=1S/C27H35NO4/c1-4-5-9-24(2,30)22-17-8-13-28-14-12-26-20-16-6-7-18(29)21(20)32-23(26)27(22,31-3)11-10-25(17,26)19(28)15-16/h6-7,10-11,17,19,22-23,29-30H,4-5,8-9,12-15H2,1-3H3/t17-,19?,22-,23-,24-,25-,26+,27-/m1/s1 > YRNWQXDPCCQSGA-NMARNSLISA-N > 3.7 > 437.25660860 > C27H35NO4 > 437.6 > CCCCC(C)(C1C2CCN3CCC45C26C3CC7=C4C(=C(C=C7)O)OC5C1(C=C6)OC)O > CCCC[C@](C)([C@H]1[C@H]2CCN3CC[C@]45[C@@]26C3CC7=C4C(=C(C=C7)O)O[C@H]5[C@]1(C=C6)OC)O > 62.2 > 437.25660860 > 0 > 32 > 7 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 17 3 11 36 6 14 22 8 14 23 8 12 2 5 22 26 8 23 27 8 26 28 8 27 28 8 21 3 6 6 15 5 7 14 5 8 33 6 9 34 6 $$$$