HMDB0300852 RDKit 3D 5-Methyloctanoyl-CoA 110112 0 0 0 0 0 0 0 0999 V2000 11.3935 4.0385 2.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2625 3.0541 1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6409 1.7434 2.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5768 0.8638 0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9975 0.6665 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0325 -0.5161 1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6516 -0.5107 1.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 -1.9157 2.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1536 -2.7847 0.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3141 -2.4032 -0.3364 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8338 -4.5426 1.0808 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6761 -5.4510 -0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3668 -5.4212 -1.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7666 -4.1710 -1.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2513 -3.2679 -0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2302 -3.4206 0.8194 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6556 -1.9792 -0.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1816 -1.1056 0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5527 0.0806 -0.3397 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 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53 38 1 0 50 41 1 0 50 44 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 22 86 1 0 23 87 1 0 25 88 1 0 25 89 1 0 25 90 1 0 26 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 31 96 1 0 35 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 40101 1 0 42102 1 0 46103 1 0 46104 1 0 48105 1 0 51106 1 0 52107 1 0 53108 1 0 57109 1 0 58110 1 0 M END