HMDB0241045 RDKit 3D 3,4-dimethylidenehexanedioylcarnitine 45 44 0 0 0 0 0 0 0 0999 V2000 4.8365 -1.3707 -0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3153 -0.1796 -0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0742 1.0041 -0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5054 0.9087 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2207 -0.0916 0.0055 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1969 2.1085 0.4718 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8503 0.0174 -0.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2889 1.2027 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0585 -1.1624 -1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6212 -0.8484 -1.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2705 -0.3625 -2.3604 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3596 -1.0352 -0.3069 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7421 -0.7085 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4899 -1.9997 -0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3152 -2.6045 0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0612 -3.5966 1.2182 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3842 -2.1458 1.8157 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.1973 0.2824 0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5414 0.7382 0.3782 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.2986 0.0515 1.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2527 0.5681 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6488 2.1656 0.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8521 -1.6717 -0.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1551 -2.2190 -0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9146 1.8437 -0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5737 1.4214 0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9416 2.9323 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2414 1.3090 -0.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9318 2.0234 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4939 -1.6412 -1.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1763 -1.9248 -0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8059 -0.3069 -1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -2.7461 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5719 -1.9345 -0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5641 1.2374 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0013 0.0060 1.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8486 -0.7649 0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -0.3574 2.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0391 0.7472 1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1360 -0.1316 -0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7598 1.5229 -1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7195 0.2073 -1.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0665 2.7298 -0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3311 2.3432 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7162 2.4327 0.5752 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 2 0 4 6 1 0 2 7 1 0 7 8 2 3 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 13 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 6 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 13 32 1 0 14 33 1 0 14 34 1 0 18 35 1 0 18 36 1 0 20 37 1 0 20 38 1 0 20 39 1 0 21 40 1 0 21 41 1 0 21 42 1 0 22 43 1 0 22 44 1 0 22 45 1 0 M CHG 2 17 -1 19 1 M END