HMDB0002307 RDKit 3D Acrylyl-CoA 90 92 0 0 0 0 0 0 0 0999 V2000 10.7868 -0.8256 3.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1041 -0.9187 1.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1381 -0.0853 1.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7563 0.7593 1.9507 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5894 -0.1809 -0.4929 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3842 -0.9806 -1.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2718 -0.0961 -1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4548 0.4972 -0.9494 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3823 1.3576 -1.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2248 1.5400 -2.5976 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5154 1.9876 -0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4755 2.8839 -1.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6154 2.1600 -1.9165 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7878 1.0899 -1.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 0.7641 -0.2917 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 0.3611 -2.4466 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0928 0.8706 -3.7585 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4509 0.4860 -2.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9809 1.9219 -2.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.2626 -3.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0139 -0.1214 -0.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6322 0.0918 -0.7688 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0286 -0.5338 0.6419 P 0 0 0 0 0 5 0 0 0 0 0 0 0.2795 0.3970 1.8126 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6393 -2.0643 0.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7023 -0.6164 0.4226 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5307 0.1940 1.6463 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.3885 1.6878 1.4302 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9497 -0.1729 3.1697 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1833 -0.1630 1.5539 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3336 -1.5157 1.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7585 -1.9726 1.6757 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5666 -1.3849 2.6414 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8754 -1.5599 2.2518 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5959 -0.3054 2.4091 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1352 0.8641 2.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1074 1.7884 2.8695 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2241 1.2264 2.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4853 1.7069 2.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8823 3.0362 2.4356 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.3912 0.8381 1.6525 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0635 -0.4479 1.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8230 -0.9147 1.5939 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8989 -0.0811 2.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8982 -1.9140 0.7870 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.0188 -3.3043 0.5993 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4559 -1.5670 0.3944 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0483 -2.2869 -0.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6291 -1.1557 -1.9076 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.1979 -0.7097 -1.7797 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9567 -1.8129 -3.4386 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6188 0.2327 -1.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3196 -0.1065 3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0225 -1.4443 3.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5972 -1.6222 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8619 -1.4297 -2.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8895 -1.8611 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5820 -0.6931 -2.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6734 0.6958 -2.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5707 0.3584 0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1812 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6 56 1 0 6 57 1 0 7 58 1 0 7 59 1 0 8 60 1 0 11 61 1 0 11 62 1 0 12 63 1 0 12 64 1 0 13 65 1 0 16 66 1 6 17 67 1 0 19 68 1 0 19 69 1 0 19 70 1 0 20 71 1 0 20 72 1 0 20 73 1 0 21 74 1 0 21 75 1 0 25 76 1 0 29 77 1 0 31 78 1 0 31 79 1 0 32 80 1 1 34 81 1 1 36 82 1 0 40 83 1 0 40 84 1 0 42 85 1 0 45 86 1 6 46 87 1 0 47 88 1 6 51 89 1 0 52 90 1 0 M END