HMDB0061634 RDKit 3D 3-hydroxyoctanoyl carnitine 50 49 0 0 0 0 0 0 0 0999 V2000 6.7588 1.2049 -0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7065 0.1061 -0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6429 0.2300 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5769 -0.8206 0.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 -0.7507 -0.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7931 -1.7957 -0.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4192 -3.0432 -0.7036 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6977 -1.6836 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0147 -0.3990 0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5436 0.5980 0.6676 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2339 -0.1541 -0.4006 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9541 1.0451 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0438 1.7299 -1.7524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6186 1.1144 -2.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0873 -0.0057 -3.1205 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6655 1.9448 -4.0726 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.1113 1.1444 0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1519 0.1884 0.3892 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.7628 -1.1750 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0880 0.5832 -0.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9346 0.1652 1.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6057 0.9770 -0.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1361 1.1432 0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 2.2003 -0.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3170 0.2464 -1.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2362 -0.8593 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2021 1.2434 0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1288 0.0775 1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0829 -1.8240 0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8157 -0.7181 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6544 -0.9078 -1.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4734 0.2775 -0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4207 -1.7430 -1.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9077 -3.6566 -0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1306 -1.8067 1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0228 -2.5583 0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 1.7383 0.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6122 2.6970 -1.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0143 2.1293 -2.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6016 2.1607 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7785 1.1152 1.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6911 -1.8022 -0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2965 -1.6076 1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1762 -1.3122 -0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7781 1.5750 -1.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0758 0.7599 -0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2002 -0.2067 -1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6297 -0.6914 1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2663 0.0455 2.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5310 1.0808 1.6983 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 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 17 40 1 0 17 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 20 47 1 0 21 48 1 0 21 49 1 0 21 50 1 0 M CHG 2 16 -1 18 1 M END