HMDB0001021 RDKit 3D Malyl-CoA 96 98 0 0 0 0 0 0 0 0999 V2000 0.8390 -3.0395 -1.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -2.1278 -0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9887 -1.8145 -0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7877 -0.8975 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5156 -0.2320 -1.2428 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4347 1.1280 -0.9933 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4737 2.3382 -1.2303 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6406 1.2027 -2.1753 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0401 1.2660 0.5555 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4191 0.3811 0.8558 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1667 -0.4924 2.0922 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7615 -0.7065 -0.4145 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7907 1.2818 1.1446 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6172 1.4581 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8265 2.2774 0.4416 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6940 2.4882 -0.5942 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9442 2.7642 -0.0868 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.0112 2.0519 -0.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3061 2.1520 -0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0265 1.3462 -1.3107 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1739 0.7163 -2.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3673 -0.2043 -3.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6794 -0.6438 -3.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2751 -0.6582 -3.7698 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0340 -0.2222 -3.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8668 0.6770 -2.4391 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8978 1.1677 -1.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9405 2.3907 1.3856 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7755 3.5777 2.1002 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6946 1.5335 1.4401 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1288 1.4362 2.6789 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9730 -0.2006 3.0724 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.7443 -0.4483 3.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2925 -0.7727 3.9423 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8929 -1.1071 1.6274 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7113 -2.9387 0.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3429 -4.1736 0.7423 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4787 -2.1730 2.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1356 -1.0463 2.4321 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 -2.7685 2.5179 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4537 -2.0853 3.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9818 -0.8066 2.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8333 -1.1439 1.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9826 -2.3329 1.4178 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4196 -0.0586 1.0549 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2516 -0.3387 -0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4252 -1.1542 0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5060 -1.5530 -1.0578 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4031 -0.1838 -1.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1426 -0.3758 -2.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3560 1.1634 -1.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3721 2.0828 -1.8177 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6288 1.5525 -1.6167 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2519 3.4231 -1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1965 4.0743 -1.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3247 4.0073 -0.5676 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5235 -3.7789 -1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0214 -3.5462 -0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4721 -2.3712 -2.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0927 -0.7269 -1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1389 -2.3918 -1.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7726 -2.1798 -0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1622 -1.2183 0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2791 -0.1434 0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6903 0.3382 -2.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2702 -1.4854 -0.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9634 0.5066 -0.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0604 2.0472 -0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 3.1970 0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1241 3.8506 -0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7890 2.7755 0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1080 -1.3564 -2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2275 -0.3127 -4.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1641 -0.6090 -3.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8450 1.8438 1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8526 3.4516 3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9426 0.5554 0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9798 -1.1992 3.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4896 -1.8767 1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -3.1530 1.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2168 -4.0758 0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9884 -3.7170 2.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3087 -2.7309 3.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8261 -1.8226 4.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6237 -0.3368 3.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2021 -0.1312 2.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2572 0.9320 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5158 0.6286 -0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6544 -0.9356 -0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9913 -0.6157 1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1211 -2.1211 0.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3862 1.7057 -1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5601 1.1550 -0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1253 2.1063 -2.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6900 1.0565 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0160 3.4473 -0.1072 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 2 0 54 56 1 0 30 15 1 0 27 18 1 0 27 21 1 0 1 57 1 0 1 58 1 0 1 59 1 0 3 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 8 65 1 0 12 66 1 0 14 67 1 0 14 68 1 0 15 69 1 1 17 70 1 1 19 71 1 0 23 72 1 0 23 73 1 0 25 74 1 0 28 75 1 1 29 76 1 0 30 77 1 6 34 78 1 0 35 79 1 0 36 80 1 0 37 81 1 0 40 82 1 0 41 83 1 0 41 84 1 0 42 85 1 0 42 86 1 0 45 87 1 0 46 88 1 0 46 89 1 0 47 90 1 0 47 91 1 0 51 92 1 0 51 93 1 0 52 94 1 6 53 95 1 0 56 96 1 0 M END