Mrv0541 02241223352D 168186 0 0 0 0 999 V2000 9.1183 -7.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4845 -6.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2173 -6.7812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8272 -7.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8272 -7.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5602 -8.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2933 -7.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2933 -7.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8351 -6.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1934 -6.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8272 -5.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8272 -4.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4527 -10.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4527 -9.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0941 -9.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0941 -8.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4527 -7.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4527 -6.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0941 -5.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0941 -5.1318 0.0000 C 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 6.3690 5.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 5.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 5.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5679 3.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5679 2.7487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0346 4.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4846 3.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8514 3.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6758 3.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9510 2.3825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6841 3.7570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9510 3.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5842 4.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1340 4.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9427 -6.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4846 -7.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8514 -8.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6758 -8.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9510 -8.8894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4766 -8.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4766 -7.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8351 -5.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2933 -5.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1183 -5.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1183 -4.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9265 -3.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0346 -3.1155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6841 -7.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8591 -7.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4928 -6.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1340 -6.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2691 7.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 5.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 6.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2614 6.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2691 6.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7273 7.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2771 7.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9185 7.6975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9265 8.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9265 10.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 6.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 6.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 5.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 5.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8514 -0.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3016 -0.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6678 -1.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4928 -1.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7677 -2.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3852 -1.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3852 -0.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 1.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1692 0.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9942 0.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9942 1.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7273 2.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7273 3.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5008 -0.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7677 -0.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4009 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0423 0.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9942 -0.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4527 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0941 -0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7033 -0.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7033 -1.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4364 -1.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1692 -1.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1692 -0.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 0.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7033 1.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7033 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 -3.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5961 -2.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5961 -1.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 -1.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 0.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5961 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5961 1.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 1.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 -7.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 -6.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0622 -5.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0622 -5.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 -4.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 -3.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 -3.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0622 -2.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0622 -1.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 -1.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 0.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0622 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0622 1.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 1.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4205 3.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 5.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 5.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 6.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 7.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 8.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1373 -6.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5961 -5.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5961 -5.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1373 -4.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 2 86 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 85 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 28 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 29 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 47 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34102 1 0 0 0 0 35 36 1 0 0 0 0 35 48 1 0 0 0 0 36 37 1 0 0 0 0 36 51 2 0 0 0 0 37 38 2 0 0 0 0 37 59 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 52 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 56 2 0 0 0 0 42 43 2 0 0 0 0 42119 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 55 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62100 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 98 1 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 66 69 1 0 0 0 0 68 69 1 0 0 0 0 68 75 2 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 74 2 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 77 78 1 0 0 0 0 77 92 2 0 0 0 0 78 79 2 0 0 0 0 78 83 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 91 2 0 0 0 0 82 83 2 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 2 0 0 0 0 88148 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 94 99 1 0 0 0 0 95 96 2 0 0 0 0 96 97 1 0 0 0 0 96162 1 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 102103 2 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 105163 2 0 0 0 0 106107 1 0 0 0 0 106160 2 0 0 0 0 108109 1 0 0 0 0 108123 2 0 0 0 0 109110 2 0 0 0 0 109114 1 0 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111122 2 0 0 0 0 113114 2 0 0 0 0 114115 1 0 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116133 1 0 0 0 0 117118 1 0 0 0 0 117126 1 0 0 0 0 118119 1 0 0 0 0 119120 2 0 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 125126 1 0 0 0 0 125132 1 0 0 0 0 126127 1 0 0 0 0 128129 2 0 0 0 0 129130 1 0 0 0 0 129153 1 0 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 134135 1 0 0 0 0 135136 2 0 0 0 0 135156 1 0 0 0 0 137138 1 0 0 0 0 138139 2 0 0 0 0 138151 1 0 0 0 0 139140 1 0 0 0 0 139154 1 0 0 0 0 141142 1 0 0 0 0 142143 1 0 0 0 0 142155 2 0 0 0 0 143144 1 0 0 0 0 143158 2 0 0 0 0 145146 1 0 0 0 0 146147 1 0 0 0 0 146166 2 0 0 0 0 147148 2 0 0 0 0 148149 1 0 0 0 0 149150 1 0 0 0 0 149167 2 0 0 0 0 150151 1 0 0 0 0 151152 2 0 0 0 0 152153 1 0 0 0 0 153154 2 0 0 0 0 154155 1 0 0 0 0 155156 1 0 0 0 0 156157 2 0 0 0 0 157158 1 0 0 0 0 158159 1 0 0 0 0 159160 1 0 0 0 0 160161 1 0 0 0 0 161162 2 0 0 0 0 162163 1 0 0 0 0 163164 1 0 0 0 0 165166 1 0 0 0 0 166167 1 0 0 0 0 167168 1 0 0 0 0 M END > CHEM026093 > chemdb > OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1OC1=CC2=C(C(O)=C1O)C1=C(O)C(O)=C3OC4=C(O)C(O)=C(O)C(=C4)C(=O)OC4C(O)C5OC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(O)C(O)=C(OC7=C(O)C(O)=C(O)C=C7C(=O)OC7C(O)OC(COC2=O)C(OC(=O)C1=C3)C7OC(=O)C1=CC(O)=C(O)C(O)=C1)C=C6C(=O)OCC5OC4OC(=O)C1=CC(O)=C(O)C(O)=C1 > InChI=1S/C102H72O66/c103-31-1-19(2-32(104)56(31)115)88(137)164-84-81-47(17-152-91(140)22-7-37(109)59(118)68(127)49(22)50-24(95(144)161-81)9-39(111)60(119)69(50)128)157-100(149)86(84)166-98(147)30-11-41(113)63(122)76(135)79(30)156-45-13-26-53(72(131)66(45)125)54-27-14-42(64(123)73(54)132)154-43-15-28(55(114)74(133)67(43)126)97(146)163-83-77(136)80-46(159-102(83)168-90(139)21-5-35(107)58(117)36(108)6-21)16-151-92(141)25-12-44(65(124)71(130)52(25)51-23(94(143)160-80)8-38(110)61(120)70(51)129)155-78-29(10-40(112)62(121)75(78)134)99(148)167-87-85(165-89(138)20-3-33(105)57(116)34(106)4-20)82(162-96(27)145)48(158-101(87)150)18-153-93(26)142/h1-15,46-48,77,80-87,100-136,149-150H,16-18H2 > VIYPHOKMSVCJRH-UHFFFAOYSA-N > C102H72O66 > 2353.6235 > 2352.227767356 > 51 > 204.88943176168561 > 0 > 36 > 0 > 0 > 3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(19),2,4,6,20,22-hexaen-12-yl 2-{[4,5,6,19,20,21,29,30,31,37,46,47,50,51,58,59,63-heptadecahydroxy-8,16,34,42,54,60-hexaoxo-11,57-bis(3,4,5-trihydroxybenzoyloxy)-2,9,12,15,27,35,38,41,55,61-decaoxaundecacyclo[34.15.6.3¹³,²⁴.2²³,²⁶.1³,⁷.1¹⁰,¹⁴.0¹⁷,²².0²⁸,³³.0³⁹,⁵⁶.0⁴³,⁴⁸.0⁴⁹,⁵³]tetrahexaconta-1(51),3,5,7(64),17(22),18,20,23(59),24,26(58),28,30,32,43(48),44,46,49,52-octadecaen-45-yl]oxy}-3,4,5-trihydroxybenzoate > 4.12 > 8.181387654000002 > -2.62 > 1 > 19 > -3 > 6.145436948326084 > 5.5757908784948444 > -4.276147721861219 > 1099.260000000001 > 528.7868999999996 > 14 > 0 > 5.59e+00 g/l > 3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(19),2,4,6,20,22-hexaen-12-yl 2-{[4,5,6,19,20,21,29,30,31,37,46,47,50,51,58,59,63-heptadecahydroxy-8,16,34,42,54,60-hexaoxo-11,57-bis(3,4,5-trihydroxybenzoyloxy)-2,9,12,15,27,35,38,41,55,61-decaoxaundecacyclo[34.15.6.3¹³,²⁴.2²³,²⁶.1³,⁷.1¹⁰,¹⁴.0¹⁷,²².0²⁸,³³.0³⁹,⁵⁶.0⁴³,⁴⁸.0⁴⁹,⁵³]tetrahexaconta-1(51),3,5,7(64),17(22),18,20,23(59),24,26(58),28,30,32,43(48),44,46,49,52-octadecaen-45-yl]oxy}-3,4,5-trihydroxybenzoate > 0 > Oenothein A $$$$