HMDB0012475 RDKit 3D (3S)-3-Hydroxyadipyl-CoA 102104 0 0 0 0 0 0 0 0999 V2000 -1.5052 -2.8753 -2.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0185 -2.5825 -2.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3473 -1.6701 -3.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2716 -1.8441 -0.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4543 -0.6498 -0.7483 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1942 0.2118 0.6795 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9504 1.1896 0.5024 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 -0.8680 1.9164 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5518 1.1225 1.0949 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7003 0.2229 1.9345 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1819 -1.1828 2.1284 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0622 0.9409 3.4226 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1203 0.1296 1.0313 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8114 1.3410 1.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0645 1.2225 0.2260 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7928 2.4029 0.2153 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1338 2.0394 0.1956 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0321 3.1046 0.4882 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8015 4.3511 0.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9649 5.0148 1.0542 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.9644 4.1808 0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3428 4.3359 0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9152 5.5610 0.9667 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.0565 3.2777 0.1729 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4913 2.1127 -0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1604 1.9820 -0.0943 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3689 3.0059 0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1368 0.9775 1.2885 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3052 0.2611 1.3285 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9605 0.1326 0.7662 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4208 -0.5787 -0.3381 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2225 -2.2257 -0.2449 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.5551 -2.9688 -0.3722 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3712 -2.7300 1.1077 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3220 -2.7032 -1.6201 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -3.9020 -2.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3066 -4.6848 -1.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1816 -3.7716 -2.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7061 -3.0692 -3.0357 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 -4.4251 -1.1943 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4273 -4.3138 -1.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8242 -2.8849 -1.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3278 -2.8051 -1.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9966 -3.8285 -1.2877 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9188 -1.5364 -1.0222 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3595 -1.3737 -1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0345 -2.1119 0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8146 -1.9540 0.0288 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4277 -0.3677 0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6483 -0.1816 0.3849 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5763 0.7535 0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4601 1.9673 1.2313 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3311 1.5648 2.2543 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6019 3.0828 1.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5443 3.5398 0.8099 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7255 4.6387 1.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9169 5.1022 2.5304 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7063 5.1742 0.6136 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9895 -3.0060 -1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6359 -3.7262 -2.8157 H 0 0 0 0 0 0 0 0 0 0 0 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0 7.7954 6.1006 0.1860 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 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 30 15 1 0 27 18 1 0 27 21 1 0 1 59 1 0 1 60 1 0 1 61 1 0 3 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 8 67 1 0 12 68 1 0 14 69 1 0 14 70 1 0 15 71 1 6 17 72 1 6 19 73 1 0 23 74 1 0 23 75 1 0 25 76 1 0 28 77 1 1 29 78 1 0 30 79 1 1 34 80 1 0 35 81 1 0 36 82 1 0 37 83 1 0 40 84 1 0 41 85 1 0 41 86 1 0 42 87 1 0 42 88 1 0 45 89 1 0 46 90 1 0 46 91 1 0 47 92 1 0 47 93 1 0 51 94 1 0 51 95 1 0 52 96 1 6 53 97 1 0 54 98 1 0 54 99 1 0 55100 1 0 55101 1 0 58102 1 0 M END