HMDB0241083 RDKit 3D Dec-5-enedioylcarnitine 53 52 0 0 0 0 0 0 0 0999 V2000 -5.7891 1.1695 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7326 0.3170 -0.6829 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.4140 -0.4961 -1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7502 1.0642 -1.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2107 -0.6232 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8663 -0.4332 0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7029 0.4150 2.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1065 1.8218 1.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2205 2.2559 2.3237 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2454 2.7890 1.4114 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.8236 -0.3209 -0.1462 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8591 -1.2612 -0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -2.3251 0.2677 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2114 -1.0814 -1.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4468 -0.5277 -0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9114 -1.4810 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0959 -0.9508 1.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6114 0.2053 0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8136 0.7858 1.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8776 0.9802 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1950 -0.3801 -0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2380 -0.1641 -1.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4273 0.0368 -0.9201 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8935 -0.1843 -2.5869 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6573 1.1689 -0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 2.2300 -0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1529 0.7639 0.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1248 0.1419 -2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0036 -1.2370 -1.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6528 -0.9815 -2.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0877 0.3589 -1.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 1.8975 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 1.5325 -2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2239 -1.6515 -0.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9308 -0.6662 1.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6308 -1.5050 1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 0.4508 2.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1904 -0.0512 2.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5412 -2.0375 -1.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -0.3265 -2.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1999 0.4360 -0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2646 -0.3469 -1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 -2.4699 -0.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1399 -1.6529 1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5926 -1.4929 1.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1743 0.7945 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5655 1.7818 1.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 0.1153 2.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4395 1.5841 -0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7673 1.4720 0.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 -1.0770 0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2935 -0.8285 -0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5681 -0.0151 -3.3013 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 1 0 15 16 1 0 16 17 1 0 17 18 2 3 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 19 48 1 0 20 49 1 0 20 50 1 0 21 51 1 0 21 52 1 0 24 53 1 0 M CHG 2 2 1 10 -1 M END