HMDB0039932 RDKit 3D Chrysoeriol 7-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronide] 95100 0 0 0 0 0 0 0 0999 V2000 -9.2668 1.5697 3.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6994 2.1852 2.7564 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0255 1.8674 1.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9636 0.9709 1.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3299 0.6980 0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2232 -0.2233 0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7081 -0.8952 1.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5641 -1.8158 1.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1143 -2.4386 2.1455 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9590 -2.0295 -0.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -2.9041 -0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6298 -2.0821 -0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5027 -0.9534 0.1475 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3009 -0.9478 0.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 0.2930 0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8312 0.1246 0.5535 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7041 0.8658 -0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2782 1.8731 -1.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1888 2.5960 -1.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6936 3.5887 -2.6703 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5268 2.2981 -1.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 2.9725 -2.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1318 3.9100 -3.4006 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8018 2.6008 -2.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1762 1.5833 -1.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5676 1.1757 -1.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5660 1.7993 -2.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8916 1.3640 -2.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2433 0.3207 -1.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5785 -0.0854 -1.2416 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2382 -0.3122 -0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5541 -1.3681 0.1889 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6016 -2.0675 0.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9347 0.1117 -0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 0.9845 -1.0246 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9719 1.2682 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 0.5822 -0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0788 1.3708 1.4114 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2144 1.0807 2.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1285 2.2751 3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2344 2.1923 4.8176 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0725 3.5032 2.9932 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8967 0.0853 3.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1338 0.5800 2.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5273 -1.1752 2.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6707 -1.6460 2.8627 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6055 -1.6974 -1.9597 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1645 -2.5807 -2.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4989 -2.2683 -3.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0432 -3.0816 -4.1533 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2715 -1.1655 -3.0064 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1694 -4.0126 -2.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9284 -4.4453 -1.9381 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 -4.0248 -1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4175 -4.0455 -1.7093 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7762 1.3217 -0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8296 2.2114 -0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4686 2.4888 0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5182 3.3729 0.4646 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8770 2.0248 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29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 0 31 34 2 0 25 35 1 0 35 36 1 0 36 37 2 0 15 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 39 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 12 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 48 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 5 56 2 0 56 57 1 0 57 58 2 0 58 59 1 0 58 3 1 0 54 11 1 0 45 14 1 0 37 17 1 0 36 21 1 0 34 26 1 0 1 60 1 0 1 61 1 0 1 62 1 0 4 63 1 0 6 64 1 0 7 65 1 0 11 66 1 0 12 67 1 0 14 68 1 0 15 69 1 0 18 70 1 0 20 71 1 0 24 72 1 0 27 73 1 0 28 74 1 0 30 75 1 0 33 76 1 0 33 77 1 0 33 78 1 0 34 79 1 0 37 80 1 0 39 81 1 0 42 82 1 0 43 83 1 0 44 84 1 0 45 85 1 0 46 86 1 0 48 87 1 0 51 88 1 0 52 89 1 0 53 90 1 0 54 91 1 0 55 92 1 0 56 93 1 0 57 94 1 0 59 95 1 0 M END