HMDB0241657 RDKit 3D (3E)-Tiglylcarnitine 38 37 0 0 0 0 0 0 0 0999 V2000 4.8780 0.2911 0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8073 0.9017 1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6736 1.2778 0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4345 1.0910 -0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2386 0.2016 -1.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 -0.1112 -2.1215 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6206 -0.3114 0.1147 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4976 -1.1525 0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1519 -2.5668 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3099 -3.4799 0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8722 -3.8770 1.6212 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8658 -3.9672 -0.6351 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.7089 -0.5961 0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2237 0.6136 0.1871 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.5141 0.9329 0.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3145 1.7327 0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4691 0.5716 -1.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6922 -0.7998 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8554 0.3570 0.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 0.8495 -0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9695 1.0436 2.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 1.7277 1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2745 0.7426 -1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1453 2.0968 -1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7409 -1.2610 -1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3695 -2.5606 1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6054 -3.0156 -0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5543 -1.3142 0.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4783 -0.3823 1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2011 0.0914 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9469 1.7871 0.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3862 1.2426 1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.3845 1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8569 2.1269 -0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8645 2.5541 0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4984 0.9757 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4743 -0.4477 -1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7885 1.2497 -1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 8 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 13 28 1 0 13 29 1 0 15 30 1 0 15 31 1 0 15 32 1 0 16 33 1 0 16 34 1 0 16 35 1 0 17 36 1 0 17 37 1 0 17 38 1 0 M CHG 2 12 -1 14 1 M END