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6.1695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6038 15.6215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2338 26.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3110 5.5495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6092 17.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2391 28.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1159 6.2395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9936 12.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1641 24.1155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.9829 5.0495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5899 12.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2199 23.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.4460 3.7395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7535 19.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3835 30.4209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7129 8.6695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 14.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9001 25.4343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1770 4.6695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7282 13.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3582 24.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.0430 3.5495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8577 11.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4876 22.6843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3120 6.4795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 11.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2160 22.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.8489 4.1695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 11.6961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0236 22.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1169 2.5495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 14.1315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6300 25.1330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3848 2.5495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 92 2 1 1 0 0 0 140 2 1 6 0 0 0 93 3 1 1 0 0 0 141 3 1 6 0 0 0 94 4 1 1 0 0 0 142 4 1 6 0 0 0 5 95 2 0 0 0 0 6 96 2 0 0 0 0 7 97 2 0 0 0 0 8140 1 0 0 0 0 8149 1 0 0 0 0 9141 1 0 0 0 0 9150 1 0 0 0 0 10142 1 0 0 0 0 10151 1 0 0 0 0 11137 1 0 0 0 0 11314 1 0 0 0 0 12138 1 0 0 0 0 12315 1 0 0 0 0 13139 1 0 0 0 0 13316 1 0 0 0 0 14137 2 0 0 0 0 15138 2 0 0 0 0 16139 2 0 0 0 0 143 17 1 6 0 0 0 155 17 1 1 0 0 0 144 18 1 6 0 0 0 156 18 1 1 0 0 0 145 19 1 6 0 0 0 157 19 1 1 0 0 0 146 20 1 1 0 0 0 20329 1 0 0 0 0 147 21 1 1 0 0 0 21330 1 0 0 0 0 148 22 1 1 0 0 0 22331 1 0 0 0 0 152 23 1 6 0 0 0 23332 1 0 0 0 0 153 24 1 6 0 0 0 24333 1 0 0 0 0 154 25 1 6 0 0 0 25334 1 0 0 0 0 26155 1 0 0 0 0 26167 1 0 0 0 0 27156 1 0 0 0 0 27168 1 0 0 0 0 28157 1 0 0 0 0 28169 1 0 0 0 0 29158 1 0 0 0 0 29341 1 0 0 0 0 30159 1 0 0 0 0 30342 1 0 0 0 0 31160 1 0 0 0 0 31343 1 0 0 0 0 32158 2 0 0 0 0 33159 2 0 0 0 0 34160 2 0 0 0 0 161 35 1 6 0 0 0 35350 1 0 0 0 0 162 36 1 6 0 0 0 36351 1 0 0 0 0 163 37 1 6 0 0 0 37352 1 0 0 0 0 164 38 1 1 0 0 0 38353 1 0 0 0 0 165 39 1 1 0 0 0 39354 1 0 0 0 0 166 40 1 1 0 0 0 40355 1 0 0 0 0 170 41 1 6 0 0 0 41356 1 0 0 0 0 171 42 1 6 0 0 0 42357 1 0 0 0 0 172 43 1 6 0 0 0 43358 1 0 0 0 0 44173 1 0 0 0 0 44359 1 0 0 0 0 45174 1 0 0 0 0 45360 1 0 0 0 0 46175 1 0 0 0 0 46361 1 0 0 0 0 47173 2 0 0 0 0 48174 2 0 0 0 0 49175 2 0 0 0 0 50 56 1 0 0 0 0 50 59 1 0 0 0 0 50 65 1 0 0 0 0 50 98 1 1 0 0 0 51 57 1 0 0 0 0 51 60 1 0 0 0 0 51 66 1 0 0 0 0 51 99 1 1 0 0 0 52 58 1 0 0 0 0 52 61 1 0 0 0 0 52 67 1 0 0 0 0 52100 1 1 0 0 0 53 56 1 0 0 0 0 53 62 1 0 0 0 0 53 86 1 0 0 0 0 53104 1 1 0 0 0 54 57 1 0 0 0 0 54 63 1 0 0 0 0 54 87 1 0 0 0 0 54105 1 1 0 0 0 55 58 1 0 0 0 0 55 64 1 0 0 0 0 55 88 1 0 0 0 0 55106 1 1 0 0 0 56 95 1 0 0 0 0 56176 1 6 0 0 0 57 96 1 0 0 0 0 57177 1 6 0 0 0 58 97 1 0 0 0 0 58178 1 6 0 0 0 59 74 1 0 0 0 0 59 83 1 0 0 0 0 59107 1 6 0 0 0 60 75 1 0 0 0 0 60 84 1 0 0 0 0 60108 1 6 0 0 0 61 76 1 0 0 0 0 61 85 1 0 0 0 0 61109 1 6 0 0 0 62 68 1 0 0 0 0 62 71 1 0 0 0 0 62179 1 6 0 0 0 63 69 1 0 0 0 0 63 72 1 0 0 0 0 63180 1 6 0 0 0 64 70 1 0 0 0 0 64 73 1 0 0 0 0 64181 1 6 0 0 0 65 71 1 0 0 0 0 65182 1 0 0 0 0 65183 1 0 0 0 0 66 72 1 0 0 0 0 66184 1 0 0 0 0 66185 1 0 0 0 0 67 73 1 0 0 0 0 67186 1 0 0 0 0 67187 1 0 0 0 0 68 92 1 0 0 0 0 68122 1 0 0 0 0 68123 1 0 0 0 0 69 93 1 0 0 0 0 69124 1 0 0 0 0 69125 1 0 0 0 0 70 94 1 0 0 0 0 70126 1 0 0 0 0 70127 1 0 0 0 0 71188 1 0 0 0 0 71189 1 0 0 0 0 72190 1 0 0 0 0 72191 1 0 0 0 0 73192 1 0 0 0 0 73193 1 0 0 0 0 74 77 1 0 0 0 0 74110 2 0 0 0 0 75 78 1 0 0 0 0 75111 2 0 0 0 0 76 79 1 0 0 0 0 76112 2 0 0 0 0 77 80 1 0 0 0 0 77113 1 0 0 0 0 77194 1 1 0 0 0 78 81 1 0 0 0 0 78114 1 0 0 0 0 78195 1 1 0 0 0 79 82 1 0 0 0 0 79115 1 0 0 0 0 79196 1 1 0 0 0 80 89 1 0 0 0 0 80116 1 0 0 0 0 80131 1 1 0 0 0 81 90 1 0 0 0 0 81117 1 0 0 0 0 81132 1 1 0 0 0 82 91 1 0 0 0 0 82118 1 0 0 0 0 82133 1 1 0 0 0 83 89 1 0 0 0 0 83197 1 0 0 0 0 83198 1 0 0 0 0 84 90 1 0 0 0 0 84199 1 0 0 0 0 84200 1 0 0 0 0 85 91 1 0 0 0 0 85201 1 0 0 0 0 85202 1 0 0 0 0 86101 1 0 0 0 0 86203 1 0 0 0 0 86204 1 0 0 0 0 87102 1 0 0 0 0 87205 1 0 0 0 0 87206 1 0 0 0 0 88103 1 0 0 0 0 88207 1 0 0 0 0 88208 1 0 0 0 0 89209 1 0 0 0 0 89210 1 0 0 0 0 90211 1 0 0 0 0 90212 1 0 0 0 0 91213 1 0 0 0 0 91214 1 0 0 0 0 92101 1 0 0 0 0 92215 1 0 0 0 0 93102 1 0 0 0 0 93216 1 0 0 0 0 94103 1 0 0 0 0 94217 1 0 0 0 0 95110 1 0 0 0 0 96111 1 0 0 0 0 97112 1 0 0 0 0 98218 1 0 0 0 0 98219 1 0 0 0 0 98220 1 0 0 0 0 99221 1 0 0 0 0 99222 1 0 0 0 0 99223 1 0 0 0 0 100224 1 0 0 0 0 100225 1 0 0 0 0 100226 1 0 0 0 0 101227 1 0 0 0 0 101228 1 0 0 0 0 102229 1 0 0 0 0 102230 1 0 0 0 0 103231 1 0 0 0 0 103232 1 0 0 0 0 104233 1 0 0 0 0 104234 1 0 0 0 0 104235 1 0 0 0 0 105236 1 0 0 0 0 105237 1 0 0 0 0 105238 1 0 0 0 0 106239 1 0 0 0 0 106240 1 0 0 0 0 106241 1 0 0 0 0 107242 1 0 0 0 0 107243 1 0 0 0 0 107244 1 0 0 0 0 108245 1 0 0 0 0 108246 1 0 0 0 0 108247 1 0 0 0 0 109248 1 0 0 0 0 109249 1 0 0 0 0 109250 1 0 0 0 0 110251 1 0 0 0 0 111252 1 0 0 0 0 112253 1 0 0 0 0 113119 1 0 0 0 0 113254 1 0 0 0 0 113255 1 0 0 0 0 114120 1 0 0 0 0 114256 1 0 0 0 0 114257 1 0 0 0 0 115121 1 0 0 0 0 115258 1 0 0 0 0 115259 1 0 0 0 0 116128 1 0 0 0 0 116260 1 0 0 0 0 116261 1 0 0 0 0 117129 1 0 0 0 0 117262 1 0 0 0 0 117263 1 0 0 0 0 118130 1 0 0 0 0 118264 1 0 0 0 0 118265 1 0 0 0 0 119128 1 0 0 0 0 119134 1 6 0 0 0 119137 1 0 0 0 0 120129 1 0 0 0 0 120135 1 6 0 0 0 120138 1 0 0 0 0 121130 1 0 0 0 0 121136 1 6 0 0 0 121139 1 0 0 0 0 122266 1 0 0 0 0 122267 1 0 0 0 0 122268 1 0 0 0 0 123269 1 0 0 0 0 123270 1 0 0 0 0 123271 1 0 0 0 0 124272 1 0 0 0 0 124273 1 0 0 0 0 124274 1 0 0 0 0 125275 1 0 0 0 0 125276 1 0 0 0 0 125277 1 0 0 0 0 126278 1 0 0 0 0 126279 1 0 0 0 0 126280 1 0 0 0 0 127281 1 0 0 0 0 127282 1 0 0 0 0 127283 1 0 0 0 0 128284 1 0 0 0 0 128285 1 0 0 0 0 129286 1 0 0 0 0 129287 1 0 0 0 0 130288 1 0 0 0 0 130289 1 0 0 0 0 131290 1 0 0 0 0 131291 1 0 0 0 0 131292 1 0 0 0 0 132293 1 0 0 0 0 132294 1 0 0 0 0 132295 1 0 0 0 0 133296 1 0 0 0 0 133297 1 0 0 0 0 133298 1 0 0 0 0 134299 1 0 0 0 0 134300 1 0 0 0 0 134301 1 0 0 0 0 135302 1 0 0 0 0 135303 1 0 0 0 0 135304 1 0 0 0 0 136305 1 0 0 0 0 136306 1 0 0 0 0 136307 1 0 0 0 0 140143 1 0 0 0 0 140308 1 0 0 0 0 141144 1 0 0 0 0 141309 1 0 0 0 0 142145 1 0 0 0 0 142310 1 0 0 0 0 143146 1 0 0 0 0 143311 1 0 0 0 0 144147 1 0 0 0 0 144312 1 0 0 0 0 145148 1 0 0 0 0 145313 1 0 0 0 0 146152 1 0 0 0 0 146317 1 0 0 0 0 147153 1 0 0 0 0 147318 1 0 0 0 0 148154 1 0 0 0 0 148319 1 0 0 0 0 149152 1 0 0 0 0 149158 1 1 0 0 0 149320 1 0 0 0 0 150153 1 0 0 0 0 150159 1 1 0 0 0 150321 1 0 0 0 0 151154 1 0 0 0 0 151160 1 1 0 0 0 151322 1 0 0 0 0 152323 1 0 0 0 0 153324 1 0 0 0 0 154325 1 0 0 0 0 155161 1 0 0 0 0 155326 1 0 0 0 0 156162 1 0 0 0 0 156327 1 0 0 0 0 157163 1 0 0 0 0 157328 1 0 0 0 0 161164 1 0 0 0 0 161335 1 0 0 0 0 162165 1 0 0 0 0 162336 1 0 0 0 0 163166 1 0 0 0 0 163337 1 0 0 0 0 164170 1 0 0 0 0 164338 1 0 0 0 0 165171 1 0 0 0 0 165339 1 0 0 0 0 166172 1 0 0 0 0 166340 1 0 0 0 0 167170 1 0 0 0 0 167173 1 1 0 0 0 167344 1 0 0 0 0 168171 1 0 0 0 0 168174 1 1 0 0 0 168345 1 0 0 0 0 169172 1 0 0 0 0 169175 1 1 0 0 0 169346 1 0 0 0 0 170347 1 0 0 0 0 171348 1 0 0 0 0 172349 1 0 0 0 0 M CHG 1 1 1 M END > 25054603 > 1 > 1730 > 48 > 24 > 21 > AAADcfB8PiAAAAAAAAAAAAAAAAAAAAAAAAA0aNGjQAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAqDSCAIAAAAgAAAACAFAAEgREBYAAQQiQAAFoAAPAQPK7PzPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > sodium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid > sodium;(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid > sodium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid > sodium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid > sodium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid > sodium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-14-keto-4,4,6a,6b,8a,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid > InChI=1S/3C42H62O16.Na/c3*1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;/h3*16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);/q;;;+1/t3*19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;/m000./s1 > QZIRRRLRMFGFCX-MANOBEANSA-N > 2491.2044818 > C126H186NaO48+ > 2491.8 > CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.[Na+] > C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O.C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O.C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O.[Na+] > 801 > 2490.2011269 > 1 > 175 > 57 > 0 > 0 > 0 > 0 > 4 > -1 > 1 5 255 > 119 134 6 120 135 6 121 136 6 149 158 5 150 159 5 151 160 5 167 173 5 168 174 5 169 175 5 143 17 6 155 17 5 144 18 6 156 18 5 145 19 6 157 19 5 140 2 6 92 2 5 146 20 5 147 21 5 148 22 5 152 23 6 153 24 6 154 25 6 141 3 6 93 3 5 161 35 6 162 36 6 163 37 6 164 38 5 165 39 5 142 4 6 94 4 5 166 40 5 170 41 6 171 42 6 172 43 6 50 98 5 51 99 5 52 100 5 53 104 5 54 105 5 55 106 5 56 176 6 57 177 6 58 178 6 59 107 6 60 108 6 61 109 6 62 179 6 63 180 6 64 181 6 77 194 5 78 195 5 79 196 5 80 131 5 81 132 5 82 133 5 $$$$