6914694 -OEChem-04242404522D 99106 0 1 0 0 0 0 0999 V2000 7.0746 0.7236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2066 4.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8047 2.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4799 0.4735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8047 5.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3308 -1.2272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4387 6.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1886 6.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7369 -2.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -3.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -5.3860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6047 3.7399 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7408 2.1858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1459 1.3383 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3357 3.0936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0727 3.7607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9387 3.2607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1152 1.4377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7295 2.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4753 0.5695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8047 3.7607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3076 3.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6932 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8047 4.7607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6081 0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0727 4.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9387 5.2607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9148 -0.4155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1412 1.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9884 -0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6987 5.2953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6987 3.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6047 4.7815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5136 6.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5359 5.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5359 3.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4797 3.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4797 4.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7419 -2.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3438 3.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1579 -2.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1629 -2.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5690 -3.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 -3.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9850 -4.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 -4.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8171 -6.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9893 3.8698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2691 1.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7286 1.6689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3460 2.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5441 4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4856 3.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7529 3.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2644 2.8311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1786 2.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0471 -0.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1145 0.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8606 5.3433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4621 4.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3771 5.6991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2980 -0.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0817 0.6252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7584 1.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2008 1.8594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8242 -1.1169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5493 -0.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2941 2.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0923 2.7470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5949 5.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2066 4.8807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8047 2.1407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2228 -0.0907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4947 6.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1229 6.3928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3989 6.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9044 6.1634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9295 5.8174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1313 5.8082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1313 2.7132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9295 2.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8187 6.1267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8086 6.1742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0172 4.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0905 4.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6887 5.3869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0317 2.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8795 2.9028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6558 3.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9081 -2.2856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1859 -3.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2399 -5.2392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4967 -4.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6379 -4.8778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 -4.7366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2519 -6.5525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0719 -6.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3823 -6.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 20 1 0 0 0 0 16 2 1 1 0 0 0 2 72 1 0 0 0 0 17 3 1 1 0 0 0 3 73 1 0 0 0 0 20 4 1 1 0 0 0 4 74 1 0 0 0 0 24 5 1 1 0 0 0 5 75 1 0 0 0 0 28 6 1 6 0 0 0 6 39 1 0 0 0 0 27 7 1 6 0 0 0 7 83 1 0 0 0 0 31 8 1 6 0 0 0 8 84 1 0 0 0 0 9 39 2 0 0 0 0 10 44 1 0 0 0 0 10 47 1 0 0 0 0 11 46 1 0 0 0 0 11 48 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 14 18 1 0 0 0 0 14 25 1 0 0 0 0 14 29 1 6 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 49 1 6 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 18 50 1 6 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 28 1 0 0 0 0 21 24 1 0 0 0 0 21 32 1 0 0 0 0 21 53 1 6 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 27 1 0 0 0 0 24 31 1 0 0 0 0 25 30 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 28 30 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 35 1 0 0 0 0 33 71 1 1 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 35 38 1 0 0 0 0 35 79 1 0 0 0 0 35 80 1 0 0 0 0 36 37 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 37 38 1 0 0 0 0 37 40 1 6 0 0 0 37 85 1 0 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 39 41 1 0 0 0 0 40 88 1 0 0 0 0 40 89 1 0 0 0 0 40 90 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 91 1 0 0 0 0 43 45 2 0 0 0 0 43 92 1 0 0 0 0 44 46 2 0 0 0 0 45 46 1 0 0 0 0 45 93 1 0 0 0 0 47 94 1 0 0 0 0 47 95 1 0 0 0 0 47 96 1 0 0 0 0 48 97 1 0 0 0 0 48 98 1 0 0 0 0 48 99 1 0 0 0 0 M END > 6914694 > 1 > 1340 > 12 > 6 > 5 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAaIAAAA8eMGCBIkAAGCxAAAAHgAACAAAD3zhmAYyDoMABgCIAiDSCAACCAAkIAAIiAEOiMgfNjKEtRqGcSInwBGfqYf6/P/PoAABAAAAQADCAAYQADCAAYQADCAAAA== > [(1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25S)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3,4-dimethoxybenzoate > 3,4-dimethoxybenzoic acid [(1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25S)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] ester > [(1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25S)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3,4-dimethoxybenzoate > [(1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25S)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3,4-dimethoxybenzoate > [(1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25S)-6,10,19-trimethyl-1,10,11,12,14,23-hexakis(oxidanyl)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3,4-dimethoxybenzoate > 3,4-dimethoxybenzoic acid [(1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25S)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] ester > InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23-,24-,25-,26-,27-,28-,30-,31+,32+,33+,34-,35-,36-/m0/s1 > FVECELJHCSPHKY-JLSHOZRYSA-N > 1 > 673.34621144 > C36H51NO11 > 673.8 > CC1CCC2C(C3(C(CC4(C5CCC6C7(C5(CC4(C3CN2C1)O)OC6(C(CC7)OC(=O)C8=CC(=C(C=C8)OC)OC)O)C)O)O)O)(C)O > C[C@H]1CC[C@H]2[C@@]([C@]3([C@H](C[C@]4([C@@H]5CC[C@H]6[C@]7([C@@]5(C[C@]4([C@@H]3CN2C1)O)O[C@@]6([C@H](CC7)OC(=O)C8=CC(=C(C=C8)OC)OC)O)C)O)O)O)(C)O > 179 > 673.34621144 > 0 > 48 > 14 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 13 19 5 14 29 6 15 49 6 18 50 6 16 2 5 21 53 6 17 3 5 33 71 5 37 40 6 20 4 5 41 42 8 41 43 8 42 44 8 43 45 8 44 46 8 45 46 8 24 5 5 28 6 6 27 7 6 31 8 6 $$$$