HMDB0039906 RDKit 3D Tricin 7-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronide] 99104 0 0 0 0 0 0 0 0999 V2000 -10.6121 2.8506 0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0101 3.2938 -0.5895 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2141 3.0073 -1.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0393 2.2868 -1.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2380 1.9908 -2.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0058 1.2378 -2.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5654 0.7829 -1.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3228 0.0447 -1.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6607 -0.1405 -2.2174 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8021 -0.4803 -0.0088 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5932 -1.2113 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7471 -0.5821 1.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 -1.4131 1.4852 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4317 -0.8780 1.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4159 -1.6991 0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7471 -1.3167 0.4068 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5095 -0.7386 -0.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0099 -0.4011 -1.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8373 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1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 28 31 2 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 33 36 2 0 25 37 1 0 37 38 1 0 38 39 2 0 15 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 41 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 12 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 50 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 5 58 2 0 58 59 1 0 59 60 2 0 60 61 1 0 60 3 1 0 56 11 1 0 47 14 1 0 39 17 1 0 38 21 1 0 36 26 1 0 1 62 1 0 1 63 1 0 1 64 1 0 4 65 1 0 6 66 1 0 7 67 1 0 11 68 1 0 12 69 1 0 14 70 1 0 15 71 1 0 18 72 1 0 20 73 1 0 24 74 1 0 27 75 1 0 30 76 1 0 30 77 1 0 30 78 1 0 32 79 1 0 35 80 1 0 35 81 1 0 35 82 1 0 36 83 1 0 39 84 1 0 41 85 1 0 44 86 1 0 45 87 1 0 46 88 1 0 47 89 1 0 48 90 1 0 50 91 1 0 53 92 1 0 54 93 1 0 55 94 1 0 56 95 1 0 57 96 1 0 58 97 1 0 59 98 1 0 61 99 1 0 M END