HMDB0033725 RDKit 3D Cyanidin 3-O-[4-Hydroxycinnamoyl-(->6)-[4-hydroxy-3,5-dimethoxycinnamoyl-(->2... 145152 0 0 0 0 0 0 0 0999 V2000 -9.8409 1.3912 3.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3389 0.8873 2.6101 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5053 0.5037 1.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1310 0.6061 1.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3300 0.2263 0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8831 0.3334 0.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2673 0.8005 1.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7815 0.8578 1.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1135 0.4863 0.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1575 1.3397 2.9486 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 1.4146 3.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4309 0.2205 4.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2109 -0.3275 3.9072 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 -1.2089 2.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 -1.1097 2.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -1.5485 2.7837 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4573 -1.8484 2.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1289 -1.7915 1.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4720 -2.1537 1.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0877 -2.0869 -0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4989 -1.6684 -1.1102 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 -1.1906 -2.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4192 -0.6438 -3.1547 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5686 0.4089 -3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2314 1.1282 -4.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4797 2.2495 -5.1416 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0389 3.0036 -6.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1234 2.5727 -6.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4238 4.2082 -6.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 4.7394 -5.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9238 4.1208 -4.9223 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5984 5.8884 -6.3142 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2236 -0.2074 -3.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2571 0.0831 -2.9976 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3074 -1.7441 -4.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9942 -2.1973 -4.1521 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8136 -2.2522 -2.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 -3.4120 -2.8862 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4484 -2.5067 -0.0525 C 0 0 0 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85 2 0 85 86 1 0 85 3 1 0 79 11 1 0 71 14 1 0 45 17 1 0 53 46 1 0 68 62 1 0 43 19 1 0 37 22 1 0 1 87 1 0 1 88 1 0 1 89 1 0 4 90 1 0 6 91 1 0 7 92 1 0 11 93 1 0 12 94 1 0 14 95 1 0 15 96 1 0 18 97 1 0 22 98 1 0 24 99 1 0 25100 1 0 25101 1 0 29102 1 0 29103 1 0 32104 1 0 33105 1 0 34106 1 0 35107 1 0 36108 1 0 37109 1 0 38110 1 0 39111 1 0 41112 1 0 42113 1 0 47114 1 0 48115 1 0 50116 1 0 52117 1 0 53118 1 0 55119 1 0 56120 1 0 56121 1 0 60122 1 0 61123 1 0 63124 1 0 64125 1 0 66126 1 0 67127 1 0 68128 1 0 69129 1 0 70130 1 0 71131 1 0 72132 1 0 74133 1 0 75134 1 0 75135 1 0 76136 1 0 77137 1 0 78138 1 0 79139 1 0 80140 1 0 81141 1 0 84142 1 0 84143 1 0 84144 1 0 86145 1 0 M CHG 1 44 1 M END