HMDB0002145 RDKit 3D 4-cis-Decenoyl-CoA 111113 0 0 0 0 0 0 0 0999 V2000 16.3438 -1.6036 -0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3842 -0.4273 -0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1930 -0.6806 -1.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2021 0.4402 -0.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7225 0.5365 0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7456 1.6312 0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3886 2.3953 -0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3946 3.4940 -0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1695 3.3049 -0.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5641 1.9890 -0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9660 1.0009 -1.2157 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3245 1.8404 0.6758 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8459 0.0731 0.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1673 -0.2619 -0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0085 0.5691 -0.7071 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9365 0.5181 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9698 -0.2517 1.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 1.3896 -0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7059 1.1299 1.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3038 -0.2496 1.0043 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6935 -0.7671 -0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4872 -0.0225 -1.1751 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2785 -2.1737 -0.2333 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0406 -2.4750 -1.5965 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0067 -2.4361 0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3294 -3.9153 0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8386 -2.1401 1.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1002 -1.5818 -0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3117 -1.8512 -1.4228 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5567 -0.8205 -1.9693 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.5737 -1.7340 -2.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8393 0.2349 -3.0818 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2017 -0.0324 -0.6503 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7616 0.5288 -0.8530 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.8779 1.8357 -0.0608 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1765 0.8538 -2.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8194 -0.6312 -0.1519 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8913 0.0233 0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8759 -0.8915 1.1169 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.8658 -0.0658 1.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9808 -0.1264 0.8418 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.4917 1.1531 0.4149 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.2834 1.2660 -0.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6187 2.5545 -0.8646 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0552 3.2918 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0741 4.6355 0.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8117 5.5006 -0.4401 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3900 5.0368 1.4812 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7101 4.1573 2.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6884 2.8321 1.9608 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3592 2.3786 0.8942 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6597 -0.9533 -0.3760 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.7238 -1.6697 -0.8799 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5486 -1.8316 0.1614 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.9727 -2.9950 0.6948 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5884 -4.4229 -0.0306 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.0012 -4.2564 -1.4217 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3416 -5.1691 0.8824 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8784 -5.5342 -0.0261 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2337 -1.3731 0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8524 -2.5371 -0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5953 -1.5711 -1.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9308 0.4720 -0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0958 -0.4537 0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6668 -1.6204 -0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5227 -0.6883 -2.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6857 1.4122 -1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2898 0.2439 -1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2801 -0.4469 0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5381 0.7177 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3233 1.7854 1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8156 2.2200 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8898 4.4591 -0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0969 3.5284 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4465 3.3787 -1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4709 4.1442 -0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7915 -0.5429 0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1911 -0.1199 1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -1.3355 -0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 -0.1127 -1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9849 1.2150 -1.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 2.4729 0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3127 1.3147 -1.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1463 1.3615 2.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8114 1.7889 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4976 -0.8336 1.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0593 -2.8959 0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 -1.6303 -2.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -4.2213 1.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4142 -4.4942 0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5349 -4.1983 -0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7545 -2.4415 2.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0484 -2.5778 2.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8001 -1.0305 2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 -1.7141 0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8261 -0.5013 -0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8845 0.4037 -2.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1492 0.7433 -2.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5560 0.7947 1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4305 0.5372 -0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3187 -1.4349 1.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7891 -0.5808 1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6030 0.4655 -1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8358 5.4259 -0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2931 6.2643 -0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1781 4.5735 3.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2631 -0.2661 -1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5087 -1.9461 -1.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8775 -2.0270 -0.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7817 -5.7523 0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7079 -4.9990 -0.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 34 37 1 0 37 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 2 0 44 45 1 0 45 46 2 0 46 47 1 0 46 48 1 0 48 49 2 0 49 50 1 0 50 51 2 0 41 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 56 59 1 0 54 39 1 0 51 42 1 0 51 45 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 23 87 1 1 24 88 1 0 26 89 1 0 26 90 1 0 26 91 1 0 27 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 32 97 1 0 36 98 1 0 38 99 1 0 38100 1 0 39101 1 1 41102 1 1 43103 1 0 47104 1 0 47105 1 0 49106 1 0 52107 1 6 53108 1 0 54109 1 6 58110 1 0 59111 1 0 M END