6537493 -OEChem-05132411072D 134142 0 1 0 0 0 0 0999 V2000 7.7331 -1.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1562 6.2546 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7624 4.2074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9678 5.1800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6303 3.7107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9561 5.2869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6342 2.7107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3647 4.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5655 6.0826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7701 2.2074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8983 3.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2985 6.7454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9021 2.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7580 1.1658 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8944 4.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5461 2.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2786 7.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0535 6.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5871 6.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6581 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0575 7.7882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8081 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1641 8.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5581 1.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8939 1.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6706 -0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7956 -0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.9895 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9235 8.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -3.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -3.9895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -2.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -3.4895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -5.4895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 -3.9895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -6.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -3.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -1.9895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 -2.4895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -6.9895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -5.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -6.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 5.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4086 3.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8010 5.3801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3653 3.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7321 3.8812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 4.6935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 6.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5045 1.7796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 4.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2881 3.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5183 7.0828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2911 2.8094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6923 2.1206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2023 5.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3563 5.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5865 4.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1581 2.1084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7484 2.7935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0584 8.3541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6700 7.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2603 6.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6648 6.8627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7152 6.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9805 6.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4590 5.6827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5938 7.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6058 1.2276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1961 0.5425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5595 8.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7613 8.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0975 0.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2060 2.2049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 1.9812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 1.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8864 -1.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2802 -0.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 -0.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5798 -1.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2706 -1.2984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2335 7.7513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4604 8.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6135 8.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.7995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -1.8818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -2.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -4.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -7.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -3.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -7.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -5.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0851 -0.9895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.3695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8451 -0.9895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -7.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -3.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -4.8818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -5.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -2.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -8.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 44 1 1 1 0 0 0 2 44 1 0 0 0 0 2 47 1 0 0 0 0 45 3 1 6 0 0 0 50 3 1 1 0 0 0 46 4 1 1 0 0 0 51 4 1 1 0 0 0 48 5 1 1 0 0 0 5112 1 0 0 0 0 6 50 1 0 0 0 0 6 55 1 0 0 0 0 7 49 1 0 0 0 0 7115 1 0 0 0 0 8 51 1 0 0 0 0 8 58 1 0 0 0 0 52 9 1 1 0 0 0 9123 1 0 0 0 0 53 10 1 6 0 0 0 10127 1 0 0 0 0 54 11 1 1 0 0 0 11128 1 0 0 0 0 56 12 1 6 0 0 0 12131 1 0 0 0 0 57 13 1 1 0 0 0 13132 1 0 0 0 0 59 14 1 6 0 0 0 14133 1 0 0 0 0 15 61 1 0 0 0 0 15134 1 0 0 0 0 16 20 1 0 0 0 0 16 26 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 17 29 1 1 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 18 62 1 6 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 63 1 6 0 0 0 20 22 1 0 0 0 0 20 64 1 6 0 0 0 21 24 1 0 0 0 0 21 30 1 0 0 0 0 21 65 1 1 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 26 1 0 0 0 0 23 33 1 6 0 0 0 23 68 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 69 1 6 0 0 0 25 27 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 26 31 1 0 0 0 0 26 72 1 6 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 34 1 0 0 0 0 28 36 1 0 0 0 0 28 39 1 1 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 38 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 31 37 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 32 35 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 33 86 1 0 0 0 0 34 38 2 0 0 0 0 34 40 1 0 0 0 0 35 37 1 0 0 0 0 35 43 1 6 0 0 0 35 87 1 0 0 0 0 36 41 1 0 0 0 0 36 88 1 0 0 0 0 36 89 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 38 92 1 0 0 0 0 39 93 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 40 42 1 0 0 0 0 40 96 1 0 0 0 0 40 97 1 0 0 0 0 41 42 1 0 0 0 0 41 98 1 0 0 0 0 41 99 1 0 0 0 0 42100 1 0 0 0 0 43101 1 0 0 0 0 43102 1 0 0 0 0 43103 1 0 0 0 0 44 45 1 0 0 0 0 44104 1 0 0 0 0 45 46 1 0 0 0 0 45105 1 0 0 0 0 46 48 1 0 0 0 0 46106 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 1 0 0 0 47107 1 0 0 0 0 48108 1 0 0 0 0 49109 1 0 0 0 0 49110 1 0 0 0 0 50 52 1 0 0 0 0 50111 1 0 0 0 0 51 53 1 0 0 0 0 51113 1 0 0 0 0 52 54 1 0 0 0 0 52114 1 0 0 0 0 53 57 1 0 0 0 0 53116 1 0 0 0 0 54 56 1 0 0 0 0 54117 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 1 0 0 0 55118 1 0 0 0 0 56119 1 0 0 0 0 57 59 1 0 0 0 0 57120 1 0 0 0 0 58 59 1 0 0 0 0 58 61 1 1 0 0 0 58121 1 0 0 0 0 59122 1 0 0 0 0 60124 1 0 0 0 0 60125 1 0 0 0 0 60126 1 0 0 0 0 61129 1 0 0 0 0 61130 1 0 0 0 0 M END > 6537493 > 1 > 1590 > 16 > 9 > 8 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAeIAAAA8aJEiAAAWAHiAAAAAHgAACAAADzzxgAcCCAMABgCAAiBCAAAAAAAgAAAACAAIAAgREAIAgQAmQAAFwACPAAPQ4PwPgAAAAAAAAADAAAQAACAAASAACQAAAA== > (2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol > (2R,3R,4R,5R,6S)-2-[[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-oxanyl]oxy]-6-methyloxane-3,4,5-triol > (2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol > (2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol > (2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-2-[[(1S,2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol > (2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-methylol-2-[[(1S,2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol > InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23?,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41+,42-,43+,44-,45-/m0/s1 > ZGVSETXHNHBTRK-WWELWOLRSA-N > 1.8 > 867.49802062 > C45H73NO15 > 868.1 > CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C > C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CCC(C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C > 241 > 867.49802062 > 0 > 61 > 25 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 42 1 3 44 1 5 53 10 6 54 11 5 56 12 6 57 13 5 59 14 6 17 29 5 18 62 6 19 63 6 20 64 6 21 65 5 23 33 6 24 69 6 26 72 6 28 39 5 45 3 6 50 3 5 35 43 6 46 4 5 51 4 5 47 49 5 48 5 5 55 60 5 58 61 5 52 9 5 $$$$