HMDB0003419 RDKit 3D Formyl-CoA 86 88 0 0 0 0 0 0 0 0999 V2000 2.5604 -2.6038 1.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8032 -1.3270 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7968 -1.5797 -1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -0.4133 0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4263 -1.0724 0.2719 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9332 -0.1278 0.6008 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.0294 -0.3553 -0.4417 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5658 -0.6392 2.0874 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5118 1.4882 0.6202 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7229 2.4590 1.2872 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6382 3.8159 0.6197 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5076 2.6432 2.9727 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 1.7525 0.9822 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2319 2.6905 0.8879 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5606 2.0265 0.6151 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5615 1.3017 -0.5793 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8025 0.6702 -0.4874 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1024 -0.1651 -1.6047 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3034 -0.8911 -2.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0282 -1.5220 -3.3231 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3341 -1.2159 -3.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4697 -1.5964 -3.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3999 -2.4753 -4.9574 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.6373 -1.0850 -3.3998 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.6931 -0.2512 -2.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5633 0.1064 -1.6904 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3567 -0.3605 -2.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6737 -0.0625 0.8166 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9585 -0.2287 1.3336 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8669 0.9512 1.6406 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6960 1.4024 2.6422 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9630 1.1118 4.1371 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.7698 1.8365 5.2177 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3666 1.6616 4.1104 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9813 -0.5347 4.5242 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0238 -0.6032 0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -0.3032 2.2131 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2802 -1.3655 0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -1.7656 1.7771 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8533 -1.6629 -0.5182 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0881 -2.4142 -0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2507 -1.7386 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4561 -0.4049 -0.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7128 -0.0105 -1.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4988 0.4289 -0.1452 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7536 1.7300 -0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0714 1.6625 -2.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5471 0.6369 -2.4563 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9745 1.4433 -1.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0722 1.0077 -2.0671 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9454 -2.4442 2.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4653 -2.7714 1.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0908 -3.4715 0.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1259 -0.6904 -1.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3401 -2.5143 -1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7296 -1.7727 -1.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5589 -0.2044 1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 0.5437 0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8848 -1.0485 2.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5283 2.7620 3.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0336 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0 0 0 0 0 0 10.5562 2.2585 -0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8211 2.3570 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2166 1.2577 -2.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3315 2.6994 -2.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9304 2.2670 -1.0605 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 30 15 1 0 27 18 1 0 27 21 1 0 1 51 1 0 1 52 1 0 1 53 1 0 3 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 8 59 1 0 12 60 1 0 14 61 1 0 14 62 1 0 15 63 1 6 17 64 1 1 19 65 1 0 23 66 1 0 23 67 1 0 25 68 1 0 28 69 1 6 29 70 1 0 30 71 1 1 34 72 1 0 35 73 1 0 36 74 1 0 37 75 1 0 40 76 1 0 41 77 1 0 41 78 1 0 42 79 1 0 42 80 1 0 45 81 1 0 46 82 1 0 46 83 1 0 47 84 1 0 47 85 1 0 49 86 1 0 M END