HMDB0300959 RDKit 3D undec-10-enoyl-CoA 114116 0 0 0 0 0 0 0 0999 V2000 16.2490 1.9300 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4856 1.1112 1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2306 1.5722 1.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0137 0.7970 1.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1711 -0.6377 1.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1098 -1.5769 0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7827 -1.6982 -0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1807 -0.7444 -1.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8039 -0.2494 -1.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1498 0.5068 -0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9123 0.0824 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7721 0.3997 2.0394 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5452 -0.8369 1.8095 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1079 -1.0447 0.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 -1.8472 -0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0964 -2.0983 -1.1759 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2201 -1.1425 -1.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4566 0.0809 -1.5529 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0184 -1.5775 -2.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2402 -0.4213 -3.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7271 0.3828 -1.9663 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.1832 -1.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4697 -1.3760 -1.1672 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2237 0.5632 0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6898 1.8641 0.1828 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2877 0.5954 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7918 -0.8355 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6234 1.3409 -1.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9138 1.3034 1.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.3354 1.0026 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0863 2.0936 2.2668 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.4799 1.8152 3.6193 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0038 3.7675 2.0034 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7505 1.7050 2.2907 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0229 0.1547 2.8833 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.9899 -0.7894 2.2987 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7948 0.1353 4.5632 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5987 -0.3045 2.5205 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8947 0.1366 1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3218 -0.2886 0.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3712 -1.6759 1.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1883 -2.1005 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5323 -1.7292 0.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.9583 -1.4624 1.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2437 -1.1610 1.5989 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.7021 -1.2160 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9163 -1.0102 -0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0015 -0.6382 0.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.0327 -1.1568 -1.5839 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.9696 -1.5103 -2.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7930 -1.7110 -1.7656 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6248 -1.5754 -0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6207 -1.2733 -1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3007 -1.3174 -2.3179 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6610 0.1010 -0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8156 1.0148 -1.0245 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7776 2.3384 -1.5298 P 0 0 0 0 0 5 0 0 0 0 0 0 -11.0661 1.7953 -2.0924 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9713 3.2927 -2.6407 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1486 3.2222 -0.1171 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1767 1.6030 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9765 2.9845 0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8091 0.0925 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2303 1.4717 2.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0739 2.6329 1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9913 0.9795 0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1475 1.2591 1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3657 -0.7629 2.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1688 -1.0126 0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2021 -1.5895 1.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5491 -2.6304 1.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1027 -2.6711 -0.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7097 -2.1991 -0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2149 -1.3071 -2.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8680 0.1247 -1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1478 -1.1884 -1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6045 0.3367 -2.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1193 0.8259 -0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6743 1.5350 -0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6160 -0.0520 0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3287 -1.6063 1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8539 -2.7747 -0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9728 -1.2410 -1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 -3.1228 -1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4171 -2.3097 -1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4306 -2.1326 -3.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4101 -0.7843 -3.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9503 0.2141 -3.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0366 1.3758 -1.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4787 0.0331 1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8182 2.1764 1.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8743 -1.1690 -1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1626 -1.5107 0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -0.7877 0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7124 1.4283 -1.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 2.3304 -1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2075 0.7695 -2.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7081 0.7803 2.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 2.3410 1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4751 4.0344 1.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3531 -0.7122 4.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2036 -0.3687 0.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7869 1.2462 1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0053 0.2361 1.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0688 -3.1784 -0.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3499 -1.4912 2.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3924 -1.3776 1.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3875 0.3266 0.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1462 -1.6103 -3.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5427 -1.5578 -1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8754 -2.0119 -2.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7394 0.4298 -0.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5470 3.3727 -3.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5043 3.0092 0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 35 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 47 48 1 0 47 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 42 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 57 60 1 0 55 40 1 0 52 43 1 0 52 46 1 0 1 61 1 0 1 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 9 77 1 0 10 78 1 0 10 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 24 90 1 0 25 91 1 0 27 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 33100 1 0 37101 1 0 39102 1 0 39103 1 0 40104 1 0 42105 1 0 44106 1 0 48107 1 0 48108 1 0 50109 1 0 53110 1 0 54111 1 0 55112 1 0 59113 1 0 60114 1 0 M END