HMDB0240803 RDKit 3D 3,4-dimethylidenenonanedioylcarnitine 54 53 0 0 0 0 0 0 0 0999 V2000 1.6187 -0.5823 1.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9871 -0.4384 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1209 -1.2560 -0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4284 -0.5796 -0.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 0.5773 -1.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 1.1738 -1.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0929 0.1813 -1.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3585 -0.4523 0.0244 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8666 -0.2160 -2.1461 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2497 0.4453 -1.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6601 0.4773 -2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0932 1.2412 -0.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 0.3712 -0.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6566 0.1423 -1.6735 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6803 -0.2483 0.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8034 -1.0577 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5541 -2.5183 0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -2.7952 2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6419 -3.9472 2.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9173 -1.8341 3.0306 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.9349 -0.5265 1.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4579 0.7566 0.8373 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.7640 0.9001 -0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7764 0.8246 1.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6773 1.8553 1.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1405 -1.2705 1.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8099 -0.0103 1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9794 -1.4276 -1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -2.2316 -0.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2429 -1.3571 -0.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5818 -0.2169 0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9383 1.3851 -1.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6415 0.2816 -2.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2168 1.9145 -1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9502 1.7515 -0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8831 -0.2117 -2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9389 0.5065 -3.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7408 1.5092 -2.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2962 1.5946 0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0688 2.1711 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1154 -1.0506 -0.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0007 -2.9602 -0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5743 -3.0034 0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6258 -0.4223 2.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8051 -1.2209 1.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6679 1.5866 -0.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9658 1.4217 -1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0811 -0.0657 -0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3486 1.6837 1.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3194 -0.0925 1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6481 0.7185 2.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2566 2.4299 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7558 1.5117 1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4453 2.5806 0.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 2 10 1 0 10 11 2 3 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 16 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 9 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 21 44 1 0 21 45 1 0 23 46 1 0 23 47 1 0 23 48 1 0 24 49 1 0 24 50 1 0 24 51 1 0 25 52 1 0 25 53 1 0 25 54 1 0 M CHG 2 20 -1 22 1 M END