HMDB0003943 RDKit 3D 3-Oxohexanoyl-CoA 100102 0 0 0 0 0 0 0 0999 V2000 12.7821 -0.9549 4.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5619 -1.5030 3.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -1.5777 2.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6521 -2.1514 1.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7156 -2.5573 1.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6941 -2.1907 -0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5484 -2.8786 -0.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7121 -4.1233 -0.9239 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0252 -2.2524 -1.3483 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7315 -0.5072 -1.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5411 0.3826 -2.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1453 1.7610 -1.8610 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8330 2.1930 -2.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0052 1.3808 -2.6354 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4497 3.6072 -1.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0501 3.8553 -2.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0992 3.0113 -1.6350 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7218 3.1446 -1.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4201 4.0038 -2.8391 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6574 2.3730 -1.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4152 2.8668 -1.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6537 0.9083 -1.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8654 0.1681 -1.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5773 0.7215 -3.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4071 0.2985 -0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 0.5035 0.4318 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0738 -0.2041 1.0663 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6887 -0.9576 2.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7615 -1.3001 -0.0405 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2438 0.9290 1.4617 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6069 0.8644 0.4829 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.1461 2.2694 0.3231 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 0.1893 -0.9968 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8358 -0.1049 1.1034 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0832 0.5084 0.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1852 -0.3762 1.5320 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3865 0.3054 1.3804 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3355 -0.6420 1.0125 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.5502 -0.0746 0.5248 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8377 0.1601 -0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0691 0.6996 -0.8831 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.5925 0.8170 0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8092 1.3032 0.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7995 1.7988 -0.0559 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.0013 1.2713 2.1542 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.0558 0.7922 2.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8820 0.3260 2.5331 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6119 0.3226 1.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5651 -1.4179 -0.0503 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2264 -2.6312 -0.2355 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2449 -1.6082 0.6790 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3805 -2.7706 1.4273 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2352 -3.9403 1.0981 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.9933 -5.2355 0.7931 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3447 -4.2298 2.4982 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2594 -3.5886 -0.2184 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5037 -0.6518 5.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1747 -0.1172 3.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5314 -1.7790 4.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7014 -0.7799 3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2832 -2.5139 3.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7285 -2.2214 1.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0431 -0.5875 1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7383 -1.1520 -0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6540 -2.7021 -0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6283 -0.3343 -1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8985 -0.2332 -0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6181 0.2907 -1.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 0.1409 -3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8514 2.4327 -1.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1162 4.2744 -2.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6278 3.8530 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9309 3.7139 -3.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7994 4.9084 -2.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4316 2.3335 -0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7124 2.5327 -0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 2.9939 -2.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6188 -0.9220 -1.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6732 0.2720 -1.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1966 0.4828 -0.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4194 1.3045 -3.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5817 1.0792 -3.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -0.3494 -3.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5034 0.6892 -1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4305 -0.7920 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0967 -1.9853 -0.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3681 0.8331 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0400 1.4823 1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2343 0.7680 -0.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9977 -0.6665 2.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4626 -1.3429 1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2134 -0.0334 -1.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6784 2.5960 -0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7397 1.3465 -0.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3292 0.8183 4.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4604 -0.8565 -1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5848 -2.9981 0.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3759 -1.6691 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4058 -3.4386 3.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2938 -3.8139 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 43 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 38 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 51 36 1 0 48 39 1 0 48 42 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 6 64 1 0 6 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 15 71 1 0 15 72 1 0 16 73 1 0 16 74 1 0 17 75 1 0 20 76 1 0 21 77 1 0 23 78 1 0 23 79 1 0 23 80 1 0 24 81 1 0 24 82 1 0 24 83 1 0 25 84 1 0 25 85 1 0 29 86 1 0 33 87 1 0 35 88 1 0 35 89 1 0 36 90 1 1 38 91 1 1 40 92 1 0 44 93 1 0 44 94 1 0 46 95 1 0 49 96 1 6 50 97 1 0 51 98 1 6 55 99 1 0 56100 1 0 M END