HMDB0241716 RDKit 3D 5-Hydroxyoct-2-enedioylcarnitine 48 47 0 0 0 0 0 0 0 0999 V2000 -3.7226 -1.1029 0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3248 0.1505 -0.2601 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.3682 -0.1302 -1.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0596 0.5600 0.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5167 1.2401 -0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 1.0621 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2192 0.4272 -2.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9559 1.1545 -3.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1291 0.6509 -4.8085 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4832 2.4062 -3.4464 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.2175 0.3951 -0.5391 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0872 0.8472 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0981 2.0726 -0.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8704 0.0024 0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9326 0.4936 1.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8816 -0.3645 2.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 -0.2000 1.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7574 1.0864 1.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1843 -1.2065 2.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6093 -1.1598 1.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8691 -1.3162 0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9512 -1.1135 -0.2971 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8176 -1.7279 -0.6319 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6998 -1.1102 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3008 -1.6298 0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8162 -1.8453 -0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3105 0.6217 -2.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3557 -0.0301 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3009 -1.1479 -1.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2477 -0.3157 1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0474 0.9967 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4451 1.2729 1.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3327 1.9367 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1532 1.8742 -1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7876 2.0761 -1.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1813 0.3080 -3.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7407 -0.5724 -2.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6749 -1.0632 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1185 1.5469 1.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9609 -0.0522 3.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6356 -1.4315 1.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2049 -0.4411 0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3234 1.5264 2.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1717 -1.0371 3.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7718 -2.2200 1.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1378 -1.9567 2.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0588 -0.2034 2.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6748 -1.3303 -1.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 6 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 3 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 20 46 1 0 20 47 1 0 23 48 1 0 M CHG 2 2 1 10 -1 M END