HMDB0006404 RDKit 3D Decanoyl-CoA (n-C10:0CoA) 113115 0 0 0 0 0 0 0 0999 V2000 16.0703 -1.0726 -0.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1990 0.2336 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1186 0.6679 0.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7835 0.9089 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0807 -0.2551 -0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7215 0.1731 -0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7851 0.7162 0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5251 1.1364 -0.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5081 1.7175 0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9213 0.8466 1.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5147 0.1405 2.0533 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0940 0.7647 1.4564 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3647 1.4605 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5098 0.5590 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7162 -0.6285 -1.2034 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5894 -1.6470 -0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3029 -1.5910 0.7829 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7076 -2.8253 -0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2621 -2.4863 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 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O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9143 0.8669 -0.1195 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.5375 2.1266 -0.0121 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4623 3.1635 -0.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2171 4.1876 -0.3784 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.7843 3.8059 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6385 4.4226 1.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1234 5.7344 1.4846 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.0282 3.7185 2.7337 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.6200 2.4647 2.9625 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7917 1.8656 2.1015 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.3564 2.5021 0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4762 0.5179 -1.5282 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.5598 0.2354 -2.3636 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6523 -0.7460 -1.2303 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.5953 -1.7801 -1.1834 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2657 -3.0444 -2.2135 P 0 0 0 0 0 5 0 0 0 0 0 0 -11.5067 -3.6351 -2.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5437 -4.2776 -1.2924 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1977 -2.4861 -3.3957 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3971 -1.7854 -0.2998 H 0 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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 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 23 89 1 0 24 90 1 0 26 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 27 96 1 0 28 97 1 0 28 98 1 0 32 99 1 0 36100 1 0 38101 1 0 38102 1 0 39103 1 1 41104 1 1 43105 1 0 47106 1 0 47107 1 0 49108 1 0 52109 1 6 53110 1 0 54111 1 6 58112 1 0 59113 1 0 M END