HMDB0062370 RDKit 3D 3-Oxoheptanoyl-CoA 110112 0 0 0 0 0 0 0 0999 V2000 12.7511 1.0121 -2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7051 1.6191 -1.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6240 3.1005 -1.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6935 0.8379 -1.0881 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5476 1.3036 0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8950 1.1444 1.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8272 1.5876 2.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9785 1.5476 3.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7597 2.0119 2.8435 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3323 0.9470 -1.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4587 0.4068 -3.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8159 1.1429 -4.0876 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1065 -1.2793 -3.5449 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3278 -2.2153 -2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -1.8681 -2.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3541 -2.6731 -0.9543 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9382 -2.6390 -0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2296 -1.8789 -1.2335 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4855 -3.4561 0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1773 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60 1 0 55 40 1 0 52 43 1 0 52 46 1 0 1 61 1 0 1 62 1 0 3 63 1 0 3 64 1 0 3 65 1 0 4 66 1 1 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 8 71 1 0 8 72 1 0 8 73 1 0 10 74 1 0 10 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 24 86 1 1 25 87 1 0 27 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 33 96 1 0 37 97 1 0 39 98 1 0 39 99 1 0 40100 1 1 42101 1 6 44102 1 0 48103 1 0 48104 1 0 50105 1 0 53106 1 6 54107 1 0 55108 1 6 59109 1 0 60110 1 0 M END