HMDB0242437 RDKit 3D Deoxycholylglutamic acid 84 87 0 0 0 0 0 0 0 0999 V2000 2.1388 -1.4449 1.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3154 -0.1816 1.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0158 0.9949 2.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1746 1.5867 1.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4274 0.8780 1.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6704 -0.1488 1.9737 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4639 1.3127 0.4404 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7480 0.6175 0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7662 -0.1906 -0.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0482 -0.8957 -1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 -0.0149 -1.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9359 1.1691 -1.9808 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4635 -0.5298 -1.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8963 1.4422 0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7923 2.7143 0.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1635 0.9812 0.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4597 -0.1304 0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0828 -0.0905 -0.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1648 -0.0963 -1.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2677 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0 0 0 0 0 0 0 -1.1207 2.7906 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5766 2.5493 0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7252 2.7280 1.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 8 14 1 0 14 15 2 0 14 16 1 0 2 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 17 1 0 36 20 1 0 32 21 1 0 30 24 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 3 42 1 0 3 43 1 0 4 44 1 0 4 45 1 0 7 46 1 0 8 47 1 0 9 48 1 0 9 49 1 0 10 50 1 0 10 51 1 0 13 52 1 0 16 53 1 0 17 54 1 0 18 55 1 0 18 56 1 0 19 57 1 0 19 58 1 0 20 59 1 0 21 60 1 0 22 61 1 0 22 62 1 0 23 63 1 0 23 64 1 0 24 65 1 0 25 66 1 0 25 67 1 0 26 68 1 0 27 69 1 0 28 70 1 0 28 71 1 0 29 72 1 0 29 73 1 0 31 74 1 0 31 75 1 0 31 76 1 0 32 77 1 0 33 78 1 0 33 79 1 0 34 80 1 0 35 81 1 0 37 82 1 0 37 83 1 0 37 84 1 0 M END