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0 25 8 2 0 0 0 0 26 9 2 0 0 0 0 27 10 2 0 0 0 0 28 11 2 0 0 0 0 29 12 2 0 0 0 0 30 15 2 0 0 0 0 31 16 2 0 0 0 0 32 13 2 0 0 0 0 33 14 2 0 0 0 0 34 1 1 0 0 0 0 35 2 2 0 0 0 0 36 3 1 0 0 0 0 37 4 2 0 0 0 0 38 5 1 0 0 0 0 39 6 1 0 0 0 0 40 7 1 0 0 0 0 41 8 1 0 0 0 0 42 9 1 0 0 0 0 43 10 1 0 0 0 0 44 11 1 0 0 0 0 45 12 1 0 0 0 0 46 13 1 0 0 0 0 47 14 1 0 0 0 0 48 15 1 0 0 0 0 49 16 1 0 0 0 0 50 17 1 0 0 0 0 51 18 1 0 0 0 0 52 19 1 0 0 0 0 53 22 1 0 0 0 0 54 23 1 0 0 0 0 54 53 1 0 0 0 0 55 26 1 0 0 0 0 56 27 1 0 0 0 0 57 28 1 0 0 0 0 57 55 1 0 0 0 0 58 29 1 0 0 0 0 58 56 1 0 0 0 0 59 24 1 0 0 0 0 60 25 1 0 0 0 0 61 30 1 0 0 0 0 61 59 1 0 0 0 0 62 31 1 0 0 0 0 62 60 1 0 0 0 0 63 34 2 0 0 0 0 63 35 1 0 0 0 0 64 36 2 0 0 0 0 64 37 1 0 0 0 0 65 38 2 0 0 0 0 66 39 2 0 0 0 0 67 42 2 0 0 0 0 68 43 2 0 0 0 0 69 44 2 0 0 0 0 70 45 2 0 0 0 0 71 40 2 0 0 0 0 72 41 2 0 0 0 0 73 46 2 0 0 0 0 74 47 2 0 0 0 0 75 48 2 0 0 0 0 76 49 2 0 0 0 0 77 53 2 0 0 0 0 77 65 1 0 0 0 0 78 54 2 0 0 0 0 78 66 1 0 0 0 0 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0 0 0 130 47 1 0 0 0 0 131 63 1 0 0 0 0 132 64 1 0 0 0 0 133 65 1 0 0 0 0 134 66 1 0 0 0 0 135 67 1 0 0 0 0 136 68 1 0 0 0 0 137 69 1 0 0 0 0 138 70 1 0 0 0 0 139 71 1 0 0 0 0 140 72 1 0 0 0 0 141 73 1 0 0 0 0 142 74 1 0 0 0 0 143 75 1 0 0 0 0 144 76 1 0 0 0 0 145 77 1 0 0 0 0 146 78 1 0 0 0 0 147 79 1 0 0 0 0 148 80 1 0 0 0 0 149 81 1 0 0 0 0 150 82 1 0 0 0 0 151 83 1 0 0 0 0 152 84 1 0 0 0 0 153 85 1 0 0 0 0 154 86 1 0 0 0 0 155 87 1 0 0 0 0 156 88 1 0 0 0 0 157100 2 0 0 0 0 158101 2 0 0 0 0 159102 2 0 0 0 0 160103 2 0 0 0 0 161104 2 0 0 0 0 162105 2 0 0 0 0 163106 2 0 0 0 0 164107 2 0 0 0 0 165108 2 0 0 0 0 166109 2 0 0 0 0 167110 2 0 0 0 0 168111 2 0 0 0 0 169112 2 0 0 0 0 170113 2 0 0 0 0 171114 1 0 0 0 0 172 17 1 0 0 0 0 172103 1 0 0 0 0 173 18 1 0 0 0 0 173102 1 0 0 0 0 174 19 1 0 0 0 0 174104 1 0 0 0 0 175 48 1 0 0 0 0 175 90 1 0 0 0 0 176 49 1 0 0 0 0 176 89 1 0 0 0 0 177 50 1 0 0 0 0 177114 1 0 0 0 0 178 51 1 0 0 0 0 178115 1 0 0 0 0 179 52 1 0 0 0 0 179116 1 0 0 0 0 180 91 1 0 0 0 0 180105 1 0 0 0 0 181 92 1 0 0 0 0 181106 1 0 0 0 0 182 93 1 0 0 0 0 182107 1 0 0 0 0 95183 1 1 0 0 0 183100 1 0 0 0 0 184 94 1 0 0 0 0 184108 1 0 0 0 0 185 96 1 0 0 0 0 185109 1 0 0 0 0 186 97 1 0 0 0 0 186110 1 0 0 0 0 98187 1 6 0 0 0 187101 1 0 0 0 0 188 99 1 0 0 0 0 188111 1 0 0 0 0 189112 1 0 0 0 0 115189 1 1 0 0 0 190113 1 0 0 0 0 116190 1 1 0 0 0 50191 1 1 0 0 0 51192 1 6 0 0 0 52193 1 6 0 0 0 91194 1 6 0 0 0 92195 1 1 0 0 0 93196 1 6 0 0 0 94197 1 1 0 0 0 95198 1 6 0 0 0 96199 1 6 0 0 0 97200 1 6 0 0 0 98201 1 1 0 0 0 99202 1 1 0 0 0 203114 1 0 0 0 0 115204 1 6 0 0 0 116205 1 6 0 0 0 M END > CHEM027301 > chemdb > [H]C1(O)O[C@@]2([H])COC(=O)C3=CC(OC4=C(O)C(O)=C(O)C=C4C(=O)O[C@@]4([H])O[C@@]5([H])COC(=O)C6=CC(OC7=C(O)C(O)=C(O)C=C7C(=O)O[C@@]7([H])O[C@@]8([H])COC(=O)C9=CC(O)=C(O)C(O)=C9C9=C(O)C(O)=C(O)C=C9C(=O)O[C@]8([H])[C@@]([H])(OC(=O)C8=CC(O)=C(O)C(O)=C8)[C@]7([H])OC(=O)C7=CC(O)=C(O)C(O)=C7)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)O[C@@]5([H])[C@@]5([H])OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)O[C@]45[H])=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@]2([H])[C@@]2([H])OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@]12[H] > InChI=1S/C116H78O74/c117-34-1-20(2-35(118)63(34)131)100(157)183-95-92-51(18-173-102(159)22-5-38(121)65(133)77(145)53(22)54-23(106(163)181-92)6-39(122)66(134)78(54)146)178-115(98(95)187-101(158)21-3-36(119)64(132)37(120)4-21)189-112(169)32-13-46(129)73(141)87(155)89(32)176-49-16-31-62(86(154)76(49)144)60-25(8-41(124)72(140)84(60)152)107(164)182-93-52(19-174-104(31)161)179-116(99-96(93)185-109(166)27-10-43(126)68(136)80(148)56(27)58-29(111(168)188-99)12-45(128)70(138)82(58)150)190-113(170)33-14-47(130)74(142)88(156)90(33)175-48-15-30-61(85(153)75(48)143)59-24(7-40(123)71(139)83(59)151)105(162)180-91-50(17-172-103(30)160)177-114(171)97-94(91)184-108(165)26-9-42(125)67(135)79(147)55(26)57-28(110(167)186-97)11-44(127)69(137)81(57)149/h1-16,50-52,91-99,114-156,171H,17-19H2/t50-,51-,52-,91-,92-,93+,94+,95+,96+,97-,98-,99-,114?,115+,116+/m0/s1 > DPOQQDMKYYPGKM-VANPYQJESA-N > C116H78O74 > 2655.826 > 2654.234034392 > 58 > 268 > 232.35084069609107 > 0 > 41 > 0 > 0 > (10S,11R,12S,13R,15S)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2,4,6,19,21-hexaen-13-yl 2-{[(1R,2R,19S,20R,22S)-20-(2-{[(1S,2R,19S,22S)-7,8,9,12,13,14,20,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy}-3,4,5-trihydroxybenzoyloxy)-7,8,9,12,13,14,29,30,33,34,35-undecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy}-3,4,5-trihydroxybenzoate > 4.37 > 9.417947824666664 > -2.68 > 1 > 22 > -3 > 6.820991407761783 > 6.313359580203605 > -5.911117228799115 > 1243.7800000000013 > 600.2707999999998 > 16 > 0 > 5.51e+00 g/l > (10S,11R,12S,13R,15S)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2,4,6,19,21-hexaen-13-yl 2-{[(1R,2R,19S,20R,22S)-20-(2-{[(1S,2R,19S,22S)-7,8,9,12,13,14,20,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy}-3,4,5-trihydroxybenzoyloxy)-7,8,9,12,13,14,29,30,33,34,35-undecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy}-3,4,5-trihydroxybenzoate > 0 > N-cis-Caffeoyltyramine > 219773-48-5 $$$$