HMDB0241723 RDKit 3D 3-Hydroxyocta-2,5-dienoylcarnitine 46 45 0 0 0 0 0 0 0 0999 V2000 6.0024 -0.8439 -0.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8248 -1.9951 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8986 -1.8935 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0983 -0.9833 1.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 0.3864 1.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3435 0.5129 0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4279 0.2655 1.7757 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9925 0.8457 -0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5733 0.9781 -0.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 1.3001 -1.9638 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4418 0.7567 0.1102 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8016 0.8985 -0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5227 1.8927 0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9121 3.2524 0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9097 3.5078 -0.1913 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5329 4.2569 1.2614 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.5058 -0.4247 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8711 -0.4524 -0.6441 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.1397 0.2381 -1.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8303 -0.0867 0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1538 -1.8838 -0.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4539 0.0455 -0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7277 -1.2002 -1.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0851 -0.6140 -1.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5233 -2.8762 -0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8608 -2.2921 0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8772 -2.8595 1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5243 -1.3269 2.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 1.0508 2.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4089 0.6712 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5307 0.6149 2.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7261 1.0362 -1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8025 1.2323 -1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5593 1.6034 1.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5776 2.0272 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4662 -0.8800 0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9518 -1.1488 -0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7616 -0.4100 -2.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2607 0.2722 -1.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7141 1.2386 -1.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3697 0.0741 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5326 0.7238 0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5184 -0.9674 0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1707 -2.3936 0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1946 -1.8801 -1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4131 -2.2697 -1.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 6 8 2 3 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 4 28 1 0 5 29 1 0 5 30 1 0 7 31 1 0 8 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 17 36 1 0 17 37 1 0 19 38 1 0 19 39 1 0 19 40 1 0 20 41 1 0 20 42 1 0 20 43 1 0 21 44 1 0 21 45 1 0 21 46 1 0 M CHG 2 16 -1 18 1 M END