HMDB0241768 RDKit 3D Nona-2,4-dienoylcarnitine 48 47 0 0 0 0 0 0 0 0999 V2000 6.5146 1.6852 0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0802 0.3776 -0.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9903 -0.6567 -0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8435 -0.2136 -1.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8195 -1.2474 -1.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 -1.0956 -0.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 0.1675 -0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 0.4139 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -0.5183 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -1.7070 -0.2836 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5184 -0.1749 0.5048 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6154 -1.0188 0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -1.4170 1.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 -0.3938 2.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3505 0.8451 2.8345 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8268 -0.8410 4.2138 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.6904 -0.7912 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3609 0.4340 -0.4793 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.5564 1.6146 -0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0250 0.4000 -1.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4574 0.6551 0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5127 1.5809 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4108 2.4415 -0.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 2.0452 0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4205 0.5204 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 0.0286 0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5961 -0.7714 0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4094 -1.6274 -0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 0.7948 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2838 -0.2220 -2.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -2.2437 -1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9112 -1.9557 -0.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7442 1.0298 -0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6091 1.4515 0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1659 -2.0391 0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9303 -2.0809 1.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2798 -2.1356 2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3467 -1.1156 -1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4847 -1.5744 -0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1433 2.3842 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 1.4855 -1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3908 2.1190 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3438 -0.6362 -1.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3083 0.7027 -2.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9092 1.1025 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2817 1.5991 1.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6230 -0.2202 1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4380 0.8191 -0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 3 6 7 1 0 7 8 2 3 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 17 38 1 0 17 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 M CHG 2 16 -1 18 1 M END