HMDB0301434 RDKit 3D 3-hydroxyheptanoyl-CoA 105107 0 0 0 0 0 0 0 0999 V2000 8.1992 4.4853 0.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1554 4.1056 1.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1678 2.6154 2.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8483 1.8839 0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8783 0.4003 1.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9182 0.0839 2.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3617 -0.3262 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1584 0.0176 -1.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7038 0.9570 -2.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6632 -0.6921 -1.9929 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2981 -2.0888 -1.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7900 -3.4463 -1.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4411 -3.8122 -1.2024 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3713 -3.3498 -2.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5618 -2.5767 -2.9487 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9779 -3.8340 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 -3.1198 -2.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6476 -3.5868 -2.2209 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0889 -3.4691 -0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7299 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0 0 0 0 0 0 0 0 -6.2516 3.5346 1.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6898 4.7415 2.2479 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0107 4.6166 2.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9509 5.5596 2.8104 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5632 6.8942 3.0584 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2275 5.1827 2.9330 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5939 3.9139 2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6695 2.9821 2.3289 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3568 3.3059 2.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8057 0.8982 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8283 2.0550 -0.5842 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8864 -0.1485 -0.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4750 -1.3943 -0.5051 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5956 -1.9646 -2.0766 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.8684 -2.6858 -2.3636 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3262 -3.0936 -2.3025 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3281 -0.7389 -3.2267 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7099 4.7881 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7601 5.3447 1.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 3.6186 0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 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0 24 84 1 0 24 85 1 0 25 86 1 0 25 87 1 0 25 88 1 0 26 89 1 0 26 90 1 0 30 91 1 0 34 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 39 96 1 0 41 97 1 0 45 98 1 0 45 99 1 0 47100 1 0 50101 1 0 51102 1 0 52103 1 0 56104 1 0 57105 1 0 M END