HMDB0006467 RDKit 3D 4-hydroxybenzoyl-CoA 97100 0 0 0 0 0 0 0 0999 V2000 1.0505 1.2482 -2.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0968 0.9237 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8971 2.2001 -0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0779 -0.0017 -0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0969 -1.1480 -1.4629 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1029 -2.3063 -1.2571 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4019 -3.6697 -1.3007 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9196 -2.1813 0.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1541 -2.2401 -2.5889 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7681 -2.3100 -2.0767 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.6026 -3.0059 -3.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8513 -3.1655 -0.5986 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3978 -0.7635 -1.8476 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1449 -0.7711 -0.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7186 0.6173 -0.4599 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5257 1.0228 -1.4804 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5888 1.7339 -1.0028 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.8032 0.9925 -1.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8701 -0.2607 -1.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1205 -0.6436 -2.0871 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.9197 0.3615 -1.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2690 0.5846 -1.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1531 -0.4252 -2.1319 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.7339 1.7512 -1.2191 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.9171 2.7300 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5879 2.5459 -0.8013 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0851 1.3864 -1.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4968 1.7996 0.4844 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7409 1.6167 1.0941 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5458 0.6753 0.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2893 -0.4955 0.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9409 -1.3126 2.3623 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.6414 -0.8353 2.9706 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9195 -2.9710 2.0712 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1597 -0.9743 3.4769 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4086 0.2822 -0.6895 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4956 1.1260 -1.0395 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 -0.1849 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7046 -0.7944 1.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8234 0.0474 1.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 -0.4013 2.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 -0.0711 3.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3833 -0.7895 2.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9196 -1.4799 1.3631 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8178 -0.7053 2.4816 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6574 -1.4276 1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5682 -1.0348 0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7231 -2.0875 -0.7532 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3905 -1.7568 -0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1896 -2.7744 -0.1388 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9558 -0.4675 -0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2058 -0.3715 0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7970 0.8585 0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1996 2.0098 0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8587 3.2292 0.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9934 1.9133 -0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3815 0.6669 -0.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2372 1.9336 -2.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 1.7047 -2.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9302 0.3429 -3.1153 H 0 0 0 0 0 0 0 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-0.5832 -1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4923 1.9319 -0.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6104 0.5406 0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 0.0869 3.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9188 -1.5103 2.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5679 -0.4187 4.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5892 1.0032 3.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1587 -0.1152 3.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7249 -1.3331 1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4191 -2.5162 1.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5255 -1.2981 -0.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7404 0.0388 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6607 -1.2560 0.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7593 0.9041 1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5136 3.5701 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5368 2.8185 -0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4593 0.6880 -1.1176 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 2 0 54 55 1 0 54 56 1 0 56 57 2 0 30 15 1 0 57 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 1 17 71 1 6 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 0 34 79 1 0 35 80 1 0 36 81 1 6 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 55 95 1 0 56 96 1 0 57 97 1 0 M END