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122119 2 0 0 0 0 123120 1 0 0 0 0 124121 1 0 0 0 0 125122 1 0 0 0 0 126 64 1 0 0 0 0 127 65 1 0 0 0 0 128 66 1 0 0 0 0 129 67 1 0 0 0 0 130 84 1 0 0 0 0 130123 2 0 0 0 0 131 85 1 0 0 0 0 131124 2 0 0 0 0 132 86 1 0 0 0 0 132125 2 0 0 0 0 133126 1 0 0 0 0 134127 1 0 0 0 0 135128 1 0 0 0 0 136129 1 0 0 0 0 137133 1 0 0 0 0 138134 1 0 0 0 0 139135 1 0 0 0 0 140136 1 0 0 0 0 141 26 1 0 0 0 0 142 27 1 0 0 0 0 143 28 1 0 0 0 0 144 29 1 0 0 0 0 145 30 1 0 0 0 0 146 31 1 0 0 0 0 147 32 1 0 0 0 0 148 33 1 0 0 0 0 149 34 1 0 0 0 0 150 35 1 0 0 0 0 151 36 1 0 0 0 0 152 37 1 0 0 0 0 153 38 1 0 0 0 0 154 39 1 0 0 0 0 155 40 1 0 0 0 0 156 41 1 0 0 0 0 157 42 1 0 0 0 0 158 84 1 0 0 0 0 159 85 1 0 0 0 0 160 86 1 0 0 0 0 161138 1 0 0 0 0 162137 1 0 0 0 0 163140 1 0 0 0 0 164139 1 0 0 0 0 165 43 1 0 0 0 0 166 44 1 0 0 0 0 167 45 1 0 0 0 0 168 46 1 0 0 0 0 169 47 1 0 0 0 0 170 48 1 0 0 0 0 171 49 1 0 0 0 0 172 50 1 0 0 0 0 173 51 1 0 0 0 0 174 52 1 0 0 0 0 175 53 1 0 0 0 0 176 54 1 0 0 0 0 177 55 1 0 0 0 0 178 56 1 0 0 0 0 179 57 1 0 0 0 0 180 58 1 0 0 0 0 181 59 1 0 0 0 0 182 60 1 0 0 0 0 183 87 1 0 0 0 0 184 88 1 0 0 0 0 185 89 1 0 0 0 0 186 90 1 0 0 0 0 187 91 1 0 0 0 0 188 92 1 0 0 0 0 189 93 1 0 0 0 0 190 94 1 0 0 0 0 191 95 1 0 0 0 0 192 96 1 0 0 0 0 193 97 1 0 0 0 0 194 98 1 0 0 0 0 195 99 1 0 0 0 0 196100 1 0 0 0 0 197101 1 0 0 0 0 198102 1 0 0 0 0 199103 1 0 0 0 0 200104 1 0 0 0 0 201105 1 0 0 0 0 202106 1 0 0 0 0 203107 1 0 0 0 0 204108 1 0 0 0 0 205109 1 0 0 0 0 206110 1 0 0 0 0 207111 1 0 0 0 0 208112 1 0 0 0 0 209113 1 0 0 0 0 210114 1 0 0 0 0 211115 1 0 0 0 0 212116 1 0 0 0 0 213117 1 0 0 0 0 214118 1 0 0 0 0 215119 1 0 0 0 0 216120 1 0 0 0 0 217121 1 0 0 0 0 218122 1 0 0 0 0 219123 1 0 0 0 0 220124 1 0 0 0 0 221125 1 0 0 0 0 222141 2 0 0 0 0 223142 2 0 0 0 0 224143 2 0 0 0 0 225144 2 0 0 0 0 226145 2 0 0 0 0 227146 2 0 0 0 0 228147 2 0 0 0 0 229148 2 0 0 0 0 230149 2 0 0 0 0 231150 2 0 0 0 0 232151 2 0 0 0 0 233152 2 0 0 0 0 234153 2 0 0 0 0 235154 2 0 0 0 0 236155 2 0 0 0 0 237156 2 0 0 0 0 238157 2 0 0 0 0 239158 2 0 0 0 0 240159 2 0 0 0 0 241160 2 0 0 0 0 242 22 1 0 0 0 0 242145 1 0 0 0 0 243 23 1 0 0 0 0 243146 1 0 0 0 0 244 24 1 0 0 0 0 244147 1 0 0 0 0 245 25 1 0 0 0 0 245148 1 0 0 0 0 246 61 1 0 0 0 0 246131 1 0 0 0 0 247 62 1 0 0 0 0 247130 1 0 0 0 0 248 63 1 0 0 0 0 248132 1 0 0 0 0 249 64 1 0 0 0 0 249162 1 0 0 0 0 250 65 1 0 0 0 0 250161 1 0 0 0 0 251 66 1 0 0 0 0 251164 1 0 0 0 0 252 67 1 0 0 0 0 252163 1 0 0 0 0 253126 1 0 0 0 0 253149 1 0 0 0 0 254127 1 0 0 0 0 254158 1 0 0 0 0 255128 1 0 0 0 0 255159 1 0 0 0 0 256129 1 0 0 0 0 256160 1 0 0 0 0 257133 1 0 0 0 0 257150 1 0 0 0 0 258134 1 0 0 0 0 258151 1 0 0 0 0 259135 1 0 0 0 0 259152 1 0 0 0 0 260136 1 0 0 0 0 260153 1 0 0 0 0 261137 1 0 0 0 0 261154 1 0 0 0 0 262138 1 0 0 0 0 262155 1 0 0 0 0 263139 1 0 0 0 0 263156 1 0 0 0 0 264140 1 0 0 0 0 264157 1 0 0 0 0 265141 1 0 0 0 0 161265 1 1 0 0 0 266142 1 0 0 0 0 162266 1 1 0 0 0 267143 1 0 0 0 0 163267 1 1 0 0 0 268144 1 0 0 0 0 164268 1 1 0 0 0 64269 1 1 0 0 0 65270 1 1 0 0 0 66271 1 1 0 0 0 67272 1 1 0 0 0 126273 1 6 0 0 0 127274 1 6 0 0 0 128275 1 6 0 0 0 129276 1 6 0 0 0 133277 1 1 0 0 0 134278 1 1 0 0 0 135279 1 1 0 0 0 136280 1 1 0 0 0 137281 1 6 0 0 0 138282 1 6 0 0 0 139283 1 6 0 0 0 140284 1 6 0 0 0 161285 1 6 0 0 0 162286 1 6 0 0 0 163287 1 6 0 0 0 164288 1 6 0 0 0 M END > FDB018799 > foodb > [H][C@@]12COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@@]1([H])[C@]1([H])OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@@]1([H])[C@@]([H])(OC(=O)C1=CC(O)=C(O)C(OC3=C(O)C(O)=C(O)C4=C3C(=O)O[C@]3([H])[C@@]([H])(COC(=O)C5=CC(O)=C(O)C(O)=C45)O[C@]([H])(OC(=O)C4=CC(O)=C(O)C(OC5=C(O)C(O)=C(O)C6=C5C(=O)O[C@]5([H])[C@@]([H])(COC(=O)C7=CC(O)=C(O)C(O)=C67)O[C@]([H])(OC(=O)C6=CC(O)=C(O)C(OC7=C(O)C(O)=C(O)C8=C7C(=O)O[C@]7([H])[C@@]([H])(COC(=O)C9=CC(O)=C(O)C(O)=C89)O[C@]([H])(OC(=O)C8=CC(O)=C(O)C(O)=C8)[C@]8([H])OC(=O)C9=CC(O)=C(O)C(O)=C9C9=C(O)C(O)=C(O)C=C9C(=O)O[C@@]78[H])=C6)[C@]6([H])OC(=O)C7=CC(O)=C(O)C(O)=C7C7=C(O)C(O)=C(O)C=C7C(=O)O[C@@]56[H])=C4)[C@]4([H])OC(=O)C5=CC(O)=C(O)C(O)=C5C5=C(O)C(O)=C(O)C=C5C(=O)O[C@@]34[H])=C1)O2 > InChI=1S/C164H106O104/c165-43-1-26(2-44(166)87(43)183)141(222)265-161-138-134(258-151(232)36-15-54(176)94(190)107(203)71(36)75-40(155(236)262-138)19-58(180)98(194)111(75)207)127-65(250-161)23-243-146(227)31-10-49(171)101(197)114(210)78(31)81-84(158(239)254-127)130(123(219)120(216)117(81)213)247-62-7-28(4-46(168)89(62)185)143(224)267-163-140-136(260-153(234)38-17-56(178)96(192)109(205)73(38)77-42(157(238)264-140)21-60(182)100(196)113(77)209)129-67(252-163)25-245-148(229)33-12-51(173)103(199)116(212)80(33)83-86(160(241)256-129)132(125(221)122(218)119(83)215)248-63-8-29(5-47(169)90(63)186)144(225)268-164-139-135(259-152(233)37-16-55(177)95(191)108(204)72(37)76-41(156(237)263-139)20-59(181)99(195)112(76)208)128-66(251-164)24-244-147(228)32-11-50(172)102(198)115(211)79(32)82-85(159(240)255-128)131(124(220)121(217)118(82)214)246-61-6-27(3-45(167)88(61)184)142(223)266-162-137-133(257-150(231)35-14-53(175)93(189)106(202)70(35)74-39(154(235)261-137)18-57(179)97(193)110(74)206)126-64(249-162)22-242-145(226)30-9-48(170)91(187)104(200)68(30)69-34(149(230)253-126)13-52(174)92(188)105(69)201/h1-21,64-67,126-129,133-140,161-221H,22-25H2/t64-,65-,66-,67-,126-,127-,128-,129-,133+,134+,135+,136+,137-,138-,139-,140-,161-,162-,163-,164-/m1/s1 > WZQCGDLPTFKQNG-WYFIQSTASA-N > C164H106O104 > 3740.534 > 3738.30057408 > 81 > 374 > 327.41310494408003 > 0 > 57 > 0 > 0 > (1R,2S,19R,20R,22R)-36-[5-({[(1R,2S,19R,20R,22R)-36-[5-({[(1R,2S,19R,20R,22R)-36-[5-({[(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26,28,30,32(37),33,35-dodecaen-20-yl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26,28,30,32(37),33,35-dodecaen-20-yl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26,28,30,32(37),33,35-dodecaen-20-yl 3,4,5-trihydroxybenzoate > 13.645577235333333 > 1 > 32 > -4 > 6.154607215607204 > 5.684706081717272 > -6.413861922756078 > 1743.7199999999998 > 846.2189000000017 > 18 > 0 > (1R,2S,19R,20R,22R)-36-[5-({[(1R,2S,19R,20R,22R)-36-[5-({[(1R,2S,19R,20R,22R)-36-[5-({[(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26,28,30,32(37),33,35-dodecaen-20-yl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26,28,30,32(37),33,35-dodecaen-20-yl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26,28,30,32(37),33,35-dodecaen-20-yl 3,4,5-trihydroxybenzoate > 0 > FDB018799 > Sanguiin H11 $$$$