HMDB0241762 RDKit 3D Nona-3,6-dienoylcarnitine 48 47 0 0 0 0 0 0 0 0999 V2000 5.3817 2.0176 1.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4331 0.8200 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1319 -0.4472 1.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9950 -1.3460 0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1581 -1.4531 -1.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2736 -0.3513 -1.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9766 -0.3435 -1.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1185 -1.4975 -1.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1585 -1.2215 -0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5961 -1.2047 1.1099 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1849 -0.9869 -0.3074 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 -0.7296 0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0492 -1.8762 0.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0147 -1.6628 1.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0225 -0.9425 1.7715 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8582 -2.2280 3.2337 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.6794 0.6269 0.7316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4309 1.0634 -0.3580 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.6384 1.7918 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6368 2.0738 -1.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8495 0.1130 -1.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2383 1.8235 1.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7457 2.1550 0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7787 2.8932 1.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0251 0.8917 2.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6216 0.9568 0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8892 -0.6231 1.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6789 -2.2621 0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6043 -2.4410 -1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8691 -1.5947 -1.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7554 0.6278 -1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5853 -1.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7187 -2.3586 -0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5556 -1.8343 -2.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4617 -0.7666 1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5217 -2.2013 -0.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4281 -2.7769 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8403 1.3469 0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3285 0.6886 1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7682 2.7428 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5494 1.1823 -0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5929 2.0006 1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9129 1.5789 -1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2993 2.7772 -1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0177 2.6510 -0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0511 -0.5427 -1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1672 0.7140 -2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7838 -0.4298 -1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 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 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 8 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