HMDB0039907 RDKit 3D Tricin 7-[sinapoyl-(->2)-glucuronyl-(1->2)-glucuronide] 103108 0 0 0 0 0 0 0 0999 V2000 -7.8169 -1.4545 3.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6885 -0.3283 4.3278 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6043 0.5636 4.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6746 0.3379 3.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6177 1.1891 3.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6316 1.0337 1.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6667 0.1454 0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6064 0.0793 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6057 0.8858 0.0855 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5711 -0.7534 -1.0927 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5689 -0.8514 -2.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3068 -2.2461 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6552 -3.0927 -1.6682 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2828 -3.9129 -2.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6307 -3.6988 -1.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8495 -2.5304 -0.9903 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7052 -1.5298 -1.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3957 -1.4917 -2.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2716 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5.7513 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3764 4.5492 5.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5343 1.6143 5.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4697 1.8500 6.0524 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1005 -1.2121 2.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6056 -2.1179 3.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8522 -2.0177 3.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7708 -0.5089 2.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 1.7115 1.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5087 -0.5444 0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6973 -0.2126 -1.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -2.2950 -3.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2979 -3.5380 -3.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3517 -3.7999 -2.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2903 -2.2790 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 -1.2026 -4.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1087 3.4409 -1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2476 4.9394 -0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9347 7.9867 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5626 7.2844 -0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8469 6.1782 -0.1030 H 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 -4.8366 5.4990 6.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3367 2.6591 6.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 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 1 0 60 61 1 0 59 62 2 0 62 63 1 0 62 3 1 0 56 11 1 0 47 14 1 0 39 17 1 0 38 21 1 0 36 26 1 0 1 64 1 0 1 65 1 0 1 66 1 0 4 67 1 0 6 68 1 0 7 69 1 0 11 70 1 0 12 71 1 0 14 72 1 0 15 73 1 0 18 74 1 0 20 75 1 0 24 76 1 0 27 77 1 0 30 78 1 0 30 79 1 0 30 80 1 0 32 81 1 0 35 82 1 0 35 83 1 0 35 84 1 0 36 85 1 0 39 86 1 0 41 87 1 0 44 88 1 0 45 89 1 0 46 90 1 0 47 91 1 0 48 92 1 0 50 93 1 0 53 94 1 0 54 95 1 0 55 96 1 0 56 97 1 0 57 98 1 0 58 99 1 0 61100 1 0 61101 1 0 61102 1 0 63103 1 0 M END