HMDB0061639 RDKit 3D 3-hydroxytridecanoyl carnitine 65 64 0 0 0 0 0 0 0 0999 V2000 9.7807 -0.0056 -1.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6121 -0.7717 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3076 -1.4338 0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0955 -0.5921 0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7734 0.2571 -0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4676 1.0300 -0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2895 0.1415 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 1.0586 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8527 0.2402 0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6898 1.1948 0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5669 0.4152 0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7787 -0.3809 -0.4312 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7099 1.4061 0.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0085 0.6972 1.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2938 0.3800 2.1765 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8762 0.3925 0.0044 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1301 -0.2849 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0164 -1.6432 -0.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7109 -1.6217 -1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5555 -0.5570 -2.5166 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5829 -2.8052 -2.5803 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.2370 0.5680 -0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5631 0.0668 -0.1979 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.9828 -0.7328 -1.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4349 1.2638 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8849 -0.6093 1.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7820 -0.2595 -1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8311 1.0962 -0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0302 -0.3088 -1.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8864 -0.1015 1.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4089 -1.5574 0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3457 -2.0727 1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -2.2164 -0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2246 -1.2610 0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1852 0.0975 1.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -0.3098 -1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5226 1.1038 -0.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2652 1.6684 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6329 1.6848 0.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0617 -0.4329 -1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3664 -0.5679 0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3118 1.6262 0.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9958 1.7336 -0.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0081 -0.3919 1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6594 -0.3726 -0.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6116 1.8189 -0.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9145 1.8378 1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -0.1716 1.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -1.2842 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 2.1363 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7563 1.9733 -0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1764 -0.4641 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1384 -2.1782 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8731 -2.3067 -0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1971 1.5204 0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0518 0.8082 -1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0218 -1.8233 -1.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0153 -0.4469 -1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3539 -0.4774 -2.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9285 1.9818 0.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3974 1.6421 -1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4365 0.9891 0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7047 -1.3361 0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3032 0.0943 1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0767 -1.1452 1.5167 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 17 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 0 12 49 1 0 13 50 1 0 13 51 1 0 17 52 1 0 18 53 1 0 18 54 1 0 22 55 1 0 22 56 1 0 24 57 1 0 24 58 1 0 24 59 1 0 25 60 1 0 25 61 1 0 25 62 1 0 26 63 1 0 26 64 1 0 26 65 1 0 M CHG 2 21 -1 23 1 M END