442534 -OEChem-04272400592D 62 67 0 1 0 0 0 0 0999 V2000 8.4059 0.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8155 1.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1267 2.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5011 1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.3940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2848 1.4117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8181 -0.7031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2793 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8698 2.2154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8181 0.9150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1865 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1271 -1.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -2.8940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0010 2.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.8940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -2.8940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5011 2.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5011 2.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 3.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0011 3.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 4.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 4.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 0.9880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6903 0.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9143 -0.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6062 0.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7613 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5150 1.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 1.4983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 2.1886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -1.8457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3187 -2.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7168 -1.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2556 3.4910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.9191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.9191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.7040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 2.4351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 3.8380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3811 3.8381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 5.2410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 5.2410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 13 3 1 6 0 0 0 22 3 1 1 0 0 0 17 4 1 1 0 0 0 4 46 1 0 0 0 0 5 20 1 0 0 0 0 5 24 1 0 0 0 0 6 22 1 0 0 0 0 6 26 1 0 0 0 0 23 7 1 6 0 0 0 7 52 1 0 0 0 0 25 8 1 1 0 0 0 8 55 1 0 0 0 0 9 24 2 0 0 0 0 27 10 1 6 0 0 0 10 56 1 0 0 0 0 11 29 1 0 0 0 0 11 59 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 20 1 6 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 6 0 0 0 15 19 1 0 0 0 0 15 21 1 1 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 18 38 1 6 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 25 1 0 0 0 0 23 48 1 0 0 0 0 24 28 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 1 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 32 1 0 0 0 0 30 57 1 0 0 0 0 31 33 2 0 0 0 0 31 58 1 0 0 0 0 32 34 2 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 M END > 442534 > 1 > 849 > 11 > 5 > 7 > AAADceB4PAAAAAAAAAAAAAAAAABgASJAAAA0aIEAAAAAAAABAAAAGgAACAAAD1SwmAMyCIAABgCIAiDSCAACAAAkAAAIiAEACMgZNjKANRiicQAlwAEPqYfI6PyPgAAAAAAAAADCAAYQADCAAAAAAAAAAA== > [(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate > benzoic acid [(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl ester > [(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate > [(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate > [(1R,2S,3R,5R,6R,8S)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-8-methyl-6-oxidanyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate > benzoic acid [(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl ester > InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1 > YKRGDOXKVOZESV-WRJNSLSBSA-N > -1 > 480.16316171 > C23H28O11 > 480.5 > CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)O > C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O > 164 > 480.16316171 > 0 > 34 > 11 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 27 10 6 12 20 6 14 35 6 15 21 5 18 38 6 26 29 5 28 30 8 28 31 8 13 3 6 22 3 5 30 32 8 31 33 8 32 34 8 33 34 8 17 4 5 23 7 6 25 8 5 $$$$