HMDB0001166 RDKit 3D 3-Hydroxybutyryl-CoA 96 98 0 0 0 0 0 0 0 0999 V2000 10.5876 -3.4468 1.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4387 -2.0371 1.0030 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5753 -2.3368 -0.0684 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8108 -1.1462 2.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6138 0.2575 1.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0180 0.8651 2.6921 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9928 1.2429 0.3502 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1896 0.5547 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8514 0.1976 -1.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 1.4605 -2.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8168 1.4102 -2.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4052 0.3000 -3.0362 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0873 2.6436 -2.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6358 2.6365 -3.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7733 2.2471 -1.9665 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5409 1.1043 -1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 0.0436 -1.4093 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5015 1.0275 -0.1407 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6813 -0.1936 0.5573 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 1.0767 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0 0 0 0 0 -10.6895 -3.7623 -0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0184 -3.9962 -1.3821 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0952 -4.5871 -0.0591 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8287 -4.3835 0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0819 -3.3411 -0.0329 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6434 -2.4873 -0.9157 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1204 0.6466 -0.8362 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5502 1.5548 -1.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2741 0.6235 0.4458 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7970 1.8715 0.7565 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3721 2.2610 2.3135 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.2717 2.5635 3.2744 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4382 3.5885 2.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3096 0.9889 2.9474 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6674 -4.1900 0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5215 -3.3832 2.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6832 -3.5665 2.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3954 -1.6978 0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6405 -2.4604 0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4094 -1.2642 2.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8113 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29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 41 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 36 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 49 34 1 0 46 37 1 0 46 40 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 6 3 59 1 0 4 60 1 0 4 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 13 67 1 0 13 68 1 0 14 69 1 0 14 70 1 0 15 71 1 0 18 72 1 1 19 73 1 0 21 74 1 0 21 75 1 0 21 76 1 0 22 77 1 0 22 78 1 0 22 79 1 0 23 80 1 0 23 81 1 0 27 82 1 0 31 83 1 0 33 84 1 0 33 85 1 0 34 86 1 6 36 87 1 6 38 88 1 0 42 89 1 0 42 90 1 0 44 91 1 0 47 92 1 1 48 93 1 0 49 94 1 1 53 95 1 0 54 96 1 0 M END