HMDB0241766 RDKit 3D Nona-2,7-dienoylcarnitine 48 47 0 0 0 0 0 0 0 0999 V2000 7.6306 0.3170 0.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9424 -0.9819 0.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8705 -1.2427 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3652 -0.2411 -0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9531 0.1772 -0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0564 -1.0502 -0.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6674 -0.6482 -0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3062 0.5728 0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0804 0.9310 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3998 2.1070 0.6585 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0904 -0.0258 0.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4635 0.3322 0.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8509 -0.6103 1.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0128 -0.5218 3.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2431 -1.2645 4.0182 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9762 0.3736 3.1081 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.3250 0.1119 -0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7030 0.4188 -0.3652 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.4582 -0.8467 -0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1732 1.1039 -1.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1591 1.1664 0.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4693 0.3876 1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0709 0.4230 -0.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9556 1.1786 0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3105 -1.7147 1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 -2.1841 0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0159 0.6436 -0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3045 -0.7384 -1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8984 0.6583 0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6527 0.9266 -1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3721 -1.7187 0.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0994 -1.5590 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9197 -1.4270 -0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0402 1.3648 0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4954 1.3987 0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 -1.6859 1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 -0.5051 2.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 -0.9516 -0.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9042 0.7057 -1.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4797 -0.6046 -0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5221 -1.2719 0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9841 -1.5069 -1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2740 0.9728 -1.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9577 2.1696 -1.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6662 0.6253 -2.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8389 1.9916 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8610 0.5791 1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4121 1.6641 1.3707 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 1 0 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 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 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