HMDB0039905 RDKit 3D Tricin 7-[p-coumaroyl-(->2)-glucuronyl-(1->2)-glucuronide] 95100 0 0 0 0 0 0 0 0999 V2000 -6.7580 2.3549 -4.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8994 2.5562 -3.4137 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2081 2.2914 -2.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2698 1.6763 -1.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5231 1.3888 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5240 0.6890 0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7120 0.4236 2.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7250 -0.2499 2.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8965 -0.4994 4.1234 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5688 -0.6400 2.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5552 -1.3068 2.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7184 -1.5929 4.2452 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4177 -1.6767 2.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2558 -1.3945 0.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1512 -1.7494 0.1249 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0792 -2.5159 0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1748 -3.6042 -0.3284 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8782 -4.5793 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3236 -5.6160 -0.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9884 -6.6271 -0.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 -5.4619 -1.9781 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9557 -4.1375 1.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1845 -4.3504 0.5674 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9531 -2.7370 1.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1538 -2.6728 2.8661 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2266 -1.8212 0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9028 -1.6766 -0.4298 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5855 -0.5002 -0.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1369 0.0265 -1.8661 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7412 -0.2492 -3.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6634 -0.4740 -4.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9618 -0.7828 -5.2306 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3569 -0.3403 -3.6889 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6704 -1.4181 -3.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9871 -2.5618 -3.5874 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3776 -1.7758 -1.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7503 -1.8916 -1.9603 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0853 -0.8083 -0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9377 0.2851 -0.6692 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 0.5196 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6230 -0.2712 1.3847 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6736 1.6251 0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3969 1.8043 1.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3496 2.8965 1.7751 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6027 3.8149 0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5297 4.8370 0.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2367 4.9643 2.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1694 5.9727 2.3605 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9958 4.0338 3.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0668 3.0192 2.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3108 -0.7118 0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4546 -0.3337 0.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3995 0.3007 0.2637 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7582 1.7453 0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7277 2.3686 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9530 2.6987 0.2759 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2119 2.4043 1.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4402 2.6344 -1.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3731 3.2573 -2.4379 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5177 3.1978 -4.8419 H 0 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31 32 2 0 31 33 1 0 30 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 47 48 1 0 47 49 1 0 49 50 2 0 14 51 1 0 51 52 2 0 52 53 1 0 5 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 55 58 2 0 58 59 1 0 58 3 1 0 53 6 1 0 52 10 1 0 26 16 1 0 38 28 1 0 50 44 1 0 1 60 1 0 1 61 1 0 1 62 1 0 4 63 1 0 7 64 1 0 12 65 1 0 13 66 1 0 16 67 1 0 18 68 1 0 21 69 1 0 22 70 1 0 23 71 1 0 24 72 1 0 25 73 1 0 26 74 1 0 28 75 1 0 30 76 1 0 33 77 1 0 34 78 1 0 35 79 1 0 36 80 1 0 37 81 1 0 38 82 1 0 42 83 1 0 43 84 1 0 45 85 1 0 46 86 1 0 48 87 1 0 49 88 1 0 50 89 1 0 51 90 1 0 54 91 1 0 57 92 1 0 57 93 1 0 57 94 1 0 59 95 1 0 M END