HMDB0033726 RDKit 3D Cyanidin 3-O-[[4-Hydroxy-3,5-dimethoxycinnamoyl-(->2)-b-D-glucopyranosyl-(1->... 149156 0 0 0 0 0 0 0 0999 V2000 -0.1660 7.5391 -3.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8524 7.9979 -2.3777 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0712 7.4923 -1.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2946 6.4807 -0.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5331 5.9938 0.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2729 4.9363 1.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3172 4.4316 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0896 3.3618 1.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7161 2.9344 2.4122 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1939 2.8157 0.7086 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0111 1.7783 1.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5019 0.4057 0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3715 0.1623 -0.4951 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3598 -0.5789 -0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6239 -0.8571 -2.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9079 -0.6260 -3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 -0.1920 -3.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1338 0.0624 -4.5096 C 0 0 0 0 0 0 0 0 0 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0 64 65 1 0 65 66 1 0 66 67 2 0 66 68 1 0 68 69 2 0 69 70 1 0 70 71 2 0 71 72 1 0 72 73 1 0 73 74 1 0 72 75 2 0 75 76 1 0 75 77 1 0 77 78 1 0 78 79 1 0 77 80 2 0 53 81 1 0 81 82 1 0 81 83 1 0 83 84 1 0 5 85 2 0 85 86 1 0 86 87 2 0 87 88 1 0 87 3 1 0 83 12 1 0 44 16 1 0 52 45 1 0 64 55 1 0 80 70 1 0 42 18 1 0 36 21 1 0 1 89 1 0 1 90 1 0 1 91 1 0 4 92 1 0 6 93 1 0 7 94 1 0 11 95 1 0 11 96 1 0 12 97 1 0 14 98 1 0 17 99 1 0 21100 1 0 23101 1 0 24102 1 0 24103 1 0 28104 1 0 28105 1 0 31106 1 0 32107 1 0 33108 1 0 34109 1 0 35110 1 0 36111 1 0 37112 1 0 38113 1 0 40114 1 0 41115 1 0 46116 1 0 47117 1 0 49118 1 0 51119 1 0 52120 1 0 53121 1 0 55122 1 0 57123 1 0 58124 1 0 58125 1 0 59126 1 0 60127 1 0 61128 1 0 62129 1 0 63130 1 0 64131 1 0 68132 1 0 69133 1 0 71134 1 0 74135 1 0 74136 1 0 74137 1 0 76138 1 0 79139 1 0 79140 1 0 79141 1 0 80142 1 0 81143 1 0 82144 1 0 83145 1 0 84146 1 0 85147 1 0 86148 1 0 88149 1 0 M CHG 1 43 1 M END