HMDB0002170 RDKit 3D Malonyl-CoA semialdehyde 91 93 0 0 0 0 0 0 0 0999 V2000 2.7929 2.0114 2.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2752 0.6696 1.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9533 -0.4339 2.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7756 0.5384 2.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0721 1.4961 1.3174 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5785 1.4392 1.4898 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1176 2.1051 2.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2526 2.2604 0.1426 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2033 -0.1362 1.4297 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3784 -0.7146 -0.1272 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6607 0.2233 -1.0911 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -2.2004 -0.1981 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9678 -0.9717 -0.5928 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6671 0.1936 -0.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0923 -0.0247 -1.2210 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8472 -0.7368 -0.2992 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1795 -0.3309 -0.5050 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.0518 -0.7417 0.5375 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3534 -0.0832 1.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2205 -0.8072 2.4003 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.4924 -1.9457 1.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3150 -3.0002 2.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0653 -3.0062 3.2914 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3788 -4.0193 1.1875 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.6750 -3.9963 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8603 -2.9471 -0.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7538 -1.8875 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9688 1.1919 -0.5005 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0959 1.8580 -0.9014 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8121 1.2747 -1.4777 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3069 1.2316 -2.7803 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9503 2.6394 -3.6360 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.6640 3.2649 -3.1976 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2621 3.7290 -3.4861 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8277 2.2406 -5.2727 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5471 0.3756 0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9507 -0.8992 0.0392 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9674 0.2132 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3593 -0.9392 -0.4078 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9614 1.1943 0.0801 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3550 0.9400 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9757 -0.1675 0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3983 -0.3805 0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9186 0.5009 -0.6066 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0995 -1.5376 0.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4638 -1.8486 0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5602 -1.9094 -1.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2038 -2.3213 -1.9554 S 0 0 0 0 0 0 0 0 0 0 0 0 13.3529 -1.0000 -1.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5298 -1.2537 -2.0483 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0754 0.3325 -1.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3365 1.1678 -1.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3362 0.7212 -1.8442 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8119 1.9370 2.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0988 2.4906 2.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7713 2.7635 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6996 -0.9931 2.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5262 0.0880 3.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2475 -1.1356 3.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4618 -0.4791 1.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5611 0.6799 3.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5455 2.5330 -0.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9463 -2.8425 0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6108 0.8653 0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1647 0.7519 -1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0445 -0.6716 -2.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4815 -0.6148 -1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9549 0.8977 1.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5918 -2.9697 4.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1044 -3.0444 3.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7607 -4.8460 -0.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5736 1.4907 0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9445 2.8285 -0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1945 2.1795 -1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9836 4.4301 -2.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7617 3.0448 -5.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1322 1.1613 -0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -1.4070 0.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7533 2.1514 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4295 0.6221 -1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9853 1.8528 -0.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0812 0.1491 1.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4442 -1.1047 0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5835 -2.2514 1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6919 -2.8755 0.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1745 -1.1094 0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2450 -0.8848 -1.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8130 -2.6308 -1.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8306 0.3305 -0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2549 0.8632 -1.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2730 2.1774 -0.9420 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 2 0 30 15 1 0 27 18 1 0 27 21 1 0 1 54 1 0 1 55 1 0 1 56 1 0 3 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 8 62 1 0 12 63 1 0 14 64 1 0 14 65 1 0 15 66 1 6 17 67 1 6 19 68 1 0 23 69 1 0 23 70 1 0 25 71 1 0 28 72 1 1 29 73 1 0 30 74 1 6 34 75 1 0 35 76 1 0 36 77 1 0 37 78 1 0 40 79 1 0 41 80 1 0 41 81 1 0 42 82 1 0 42 83 1 0 45 84 1 0 46 85 1 0 46 86 1 0 47 87 1 0 47 88 1 0 51 89 1 0 51 90 1 0 52 91 1 0 M END