HMDB0038045 RDKit 3D Luteolin 7-[E-feruloyl-(->2)-glucuronyl-(1->2)-glucuronide] 4'-glucuronide 112118 0 0 0 0 0 0 0 0999 V2000 -12.2400 3.2381 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6718 2.1536 0.6583 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9049 1.0692 1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5726 0.9141 0.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8165 -0.1738 0.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4470 -0.2920 0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6228 -1.2740 0.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2439 -1.3364 0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4694 -2.2552 0.5889 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7883 -0.3357 -0.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4693 -0.3024 -1.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 1.0091 -0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7739 1.4301 -1.2805 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7002 1.9409 -0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4789 1.1420 -0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8818 -0.0824 -1.5658 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1161 -1.2191 -1.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -2.4712 -1.8280 C 0 0 0 0 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2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4405 -0.4075 1.9939 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3345 -1.4618 1.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8044 -2.7441 1.6215 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0036 -1.6708 0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3239 -0.3265 1.0269 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6984 -1.9126 0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1421 -2.3901 -0.4019 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9211 -2.3910 -0.8551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1738 -1.2390 -0.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3844 1.7699 -1.8819 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8981 2.9706 -1.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 2.9919 -0.9803 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0445 1.9964 -0.9318 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8327 4.1841 -0.4704 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0844 3.7663 -0.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0486 3.6694 0.6708 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4976 3.3945 -1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 4.2605 -0.4595 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9068 1.9575 -0.9912 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9773 2.1651 -2.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3842 2.6018 -2.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7309 2.8830 -3.8385 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3218 2.6988 -1.6603 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5470 1.0310 -3.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3394 1.0685 -4.3833 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7114 -0.3397 -2.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8337 -1.2077 -3.2371 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3752 -1.1612 1.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7132 -1.0149 2.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4638 0.0796 1.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7952 0.1759 2.1852 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5152 3.8841 0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1206 3.8884 -0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7866 2.8935 -1.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1630 1.7066 0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0121 0.4732 -0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9622 -2.0704 1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9712 -1.2016 -0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 1.0754 0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7421 1.9969 0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 0.8330 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0 0.4293 2.8816 1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6246 3.4598 -2.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6734 3.9467 0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3628 3.0851 -2.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1794 3.2063 -1.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5044 1.2040 -3.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9616 0.3090 -4.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7304 -0.6917 -2.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9075 -2.1360 -2.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8639 -2.0519 2.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1490 -1.7987 2.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2126 -0.5522 2.7514 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 2 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 33 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 29 43 1 0 43 44 1 0 43 45 2 0 25 46 1 0 46 47 1 0 47 48 2 0 15 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 12 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 60 62 1 0 59 63 1 0 63 64 1 0 63 65 1 0 65 66 1 0 5 67 2 0 67 68 1 0 68 69 2 0 69 70 1 0 69 3 1 0 65 11 1 0 56 14 1 0 48 17 1 0 47 21 1 0 45 26 1 0 41 31 1 0 1 71 1 0 1 72 1 0 1 73 1 0 4 74 1 0 6 75 1 0 7 76 1 0 11 77 1 0 12 78 1 0 14 79 1 0 15 80 1 0 18 81 1 0 20 82 1 0 24 83 1 0 27 84 1 0 28 85 1 0 31 86 1 0 33 87 1 0 36 88 1 0 37 89 1 0 38 90 1 0 39 91 1 0 40 92 1 0 41 93 1 0 42 94 1 0 44 95 1 0 45 96 1 0 48 97 1 0 50 98 1 0 53 99 1 0 54100 1 0 55101 1 0 56102 1 0 57103 1 0 59104 1 0 62105 1 0 63106 1 0 64107 1 0 65108 1 0 66109 1 0 67110 1 0 68111 1 0 70112 1 0 M END