HMDB0242413 RDKit 3D Deoxycholylphenylalanine 88 92 0 0 0 0 0 0 0 0999 V2000 1.7203 -0.6455 2.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 -0.7567 1.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5761 -2.1747 0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0561 -2.4025 0.8759 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -1.5841 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4891 -0.7726 -0.7862 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 -1.7002 0.1918 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2566 -0.9060 -0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0490 -0.0254 0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0312 0.8343 -0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3348 0.4034 -0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2382 1.2127 -1.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8656 2.4435 -1.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 2.8680 -1.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6560 2.0758 -0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1696 -1.7687 -1.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0879 -3.0385 -1.2572 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1325 -1.3217 -2.2668 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2256 -0.4840 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 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22 63 1 0 23 64 1 0 24 65 1 0 24 66 1 0 25 67 1 0 25 68 1 0 26 69 1 0 27 70 1 0 27 71 1 0 28 72 1 0 29 73 1 0 30 74 1 0 30 75 1 0 31 76 1 0 31 77 1 0 33 78 1 0 33 79 1 0 33 80 1 0 34 81 1 0 35 82 1 0 35 83 1 0 36 84 1 0 37 85 1 0 39 86 1 0 39 87 1 0 39 88 1 0 M END