HMDB0012179 RDKit 3D 6-Hydroxycyclohex-1-ene-1-carboxyl-CoA 101104 0 0 0 0 0 0 0 0999 V2000 0.7492 0.8524 1.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2766 0.7791 0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6454 -0.5553 -0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2373 0.8852 0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6341 2.0876 1.1459 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3172 2.1649 1.1792 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.8443 2.2525 2.6113 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7940 3.5888 0.3763 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9625 0.8258 0.4024 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2107 0.1505 1.3264 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.0394 1.2610 1.9007 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4909 -0.6919 2.6035 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0873 -0.8745 0.3193 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3695 -1.0997 0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0725 -2.0257 -0.1938 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3608 -2.3031 0.1809 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1201 -2.6001 -0.9200 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.2721 -1.6975 -0.8998 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0397 -1.2870 -1.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0026 -0.4555 -1.4858 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.8715 -0.3139 -0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5913 0.4179 0.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6972 1.2062 0.3510 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.1953 0.3468 2.0425 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.1451 -0.4030 2.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4572 -1.1094 1.5027 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.7918 -1.0886 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2658 -2.3749 -2.1431 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5941 -3.5287 -2.4666 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2380 -1.3949 -1.5610 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0616 -1.4192 -2.2951 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7022 0.1681 -2.7562 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.2716 0.5331 -2.3912 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8525 0.3700 -4.4314 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7195 1.2828 -2.0129 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8123 1.9495 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4092 1.9194 -1.5617 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3063 2.0616 -0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8635 2.0975 0.9217 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0661 2.1260 -1.3711 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5033 2.2313 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 1.0292 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5744 1.2046 -0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1103 2.2066 -1.0713 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3596 0.2034 0.0335 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7876 0.3364 0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4440 0.4216 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2444 0.5783 -0.9546 S 0 0 0 0 0 0 0 0 0 0 0 0 11.7740 -0.9603 -0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9937 -1.9268 -0.0092 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1936 -1.0808 0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6679 -2.1977 0.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1238 -2.2229 1.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3461 -0.9910 1.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0263 0.2508 1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1653 0.0090 -0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9906 -0.3539 -1.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8995 1.9344 2.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6963 0.3096 2.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0079 0.4707 2.6656 H 0 0 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0 0 0 0.4366 2.8669 0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1929 1.1677 -1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5613 2.0954 -2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8257 3.1608 -0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9032 2.2614 -2.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8602 0.1096 -1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7075 0.8674 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9138 -0.6513 0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9897 1.2863 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2219 -0.5323 0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3096 -0.5359 -1.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0867 1.2889 -1.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0231 -3.0343 0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7751 -2.1353 0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3849 -3.1156 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3843 -0.9531 2.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6006 -1.0512 2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4993 0.9778 1.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9886 0.7299 0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6011 0.9259 -0.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0862 0.3452 -1.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 17 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 35 1 0 2 36 1 0 36 37 1 0 36 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 30 15 1 0 56 51 1 0 27 18 1 0 27 21 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 4 65 1 0 8 66 1 0 12 67 1 0 14 68 1 0 14 69 1 0 15 70 1 6 17 71 1 1 19 72 1 0 23 73 1 0 23 74 1 0 25 75 1 0 28 76 1 6 29 77 1 0 30 78 1 1 34 79 1 0 35 80 1 0 36 81 1 0 37 82 1 0 40 83 1 0 41 84 1 0 41 85 1 0 42 86 1 0 42 87 1 0 45 88 1 0 46 89 1 0 46 90 1 0 47 91 1 0 47 92 1 0 52 93 1 0 53 94 1 0 53 95 1 0 54 96 1 0 54 97 1 0 55 98 1 0 55 99 1 0 56100 1 0 57101 1 0 M END