HMDB0060373 RDKit 3D 3-Hydroxy-5-methylhex-4-enoyl-CoA 103105 0 0 0 0 0 0 0 0999 V2000 14.1866 1.1926 -0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5793 -0.1156 -0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2760 -1.3449 -0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4911 -0.2511 0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6976 0.8745 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4774 1.6655 1.9864 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0385 1.7100 0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1037 0.8578 -0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5120 1.3738 -1.6615 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8819 -0.8520 -0.2867 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 -1.6046 -1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3470 -1.0035 -1.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8813 -1.2565 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6774 -1.0081 0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3016 -1.2774 1.6649 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7184 -0.4356 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1441 0.8555 -0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4715 0.5671 1.1867 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2487 0.2467 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7182 -0.0088 2.5536 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3846 0.1370 0.0947 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3992 1.1695 0.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6045 -1.1594 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4651 -2.3787 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1023 -1.0969 -1.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -1.1909 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3312 -0.1073 0.8211 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5819 -0.0674 1.9465 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6284 1.3475 2.5041 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2649 -1.1846 3.1834 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0487 -0.4838 1.2176 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0238 -0.2888 -0.4446 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2344 0.9460 -0.8439 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2978 -1.6326 -1.1962 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5640 -0.1322 -1.0953 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2896 0.8868 -0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6820 0.9983 -1.0971 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3968 -0.1586 -0.9701 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7239 0.1809 -0.7314 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.5027 -0.8937 -0.2188 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8890 -1.9756 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6081 -2.8001 -0.1516 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.7044 -2.2635 1.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2921 -2.6093 2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0112 -3.8366 2.3328 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.1678 -1.7862 3.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4947 -0.6237 3.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9254 -0.2978 2.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0038 -1.0644 1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5676 1.3252 0.2473 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.7321 2.0748 0.3593 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4592 2.1154 -0.4613 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0536 2.8375 -1.4834 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7343 4.4743 -1.4386 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.1675 4.8980 -0.0949 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1211 5.4133 -1.7497 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5927 4.8379 -2.6608 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9794 1.9820 0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3029 1.0571 -0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8752 1.5394 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0 1.9515 -2.5162 -1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2519 -2.3224 0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8516 -3.2856 0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5495 -2.0896 -1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.8474 -2.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8255 -0.2763 -1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -2.1242 0.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1346 -1.2412 2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1671 -2.0712 2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4567 -2.4427 -0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7213 1.8285 -0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3507 0.7084 0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5049 1.1909 -2.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1163 0.6023 -1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6636 -2.1842 -1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0260 -3.9271 2.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4780 -4.6908 2.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4185 0.0221 4.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1480 1.0049 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6873 2.5263 1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8754 2.7247 0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9309 4.8668 -1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0765 4.6482 -3.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 3 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 3 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 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 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 45 1 0 44 46 1 0 46 47 2 0 47 48 1 0 48 49 2 0 39 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 52 37 1 0 49 40 1 0 49 43 1 0 1 58 1 0 1 59 1 0 1 60 1 0 3 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 20 78 1 0 21 79 1 6 22 80 1 0 24 81 1 0 24 82 1 0 24 83 1 0 25 84 1 0 25 85 1 0 25 86 1 0 26 87 1 0 26 88 1 0 30 89 1 0 34 90 1 0 36 91 1 0 36 92 1 0 37 93 1 6 39 94 1 6 41 95 1 0 45 96 1 0 45 97 1 0 47 98 1 0 50 99 1 1 51100 1 0 52101 1 1 56102 1 0 57103 1 0 M END