HMDB0030432 RDKit 3D Linalyl cinnamate 45 45 0 0 0 0 0 0 0 0999 V2000 -1.9878 -2.7595 -1.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8299 -2.6046 -0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1524 -1.3744 0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 -1.4222 1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8413 -0.1458 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 -0.0998 0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9816 1.1002 -0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 1.9561 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4719 1.7009 2.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2355 3.1838 0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1582 -1.4077 -0.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1439 -0.4875 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9049 0.4800 0.8852 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4602 -0.6569 -0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4432 0.2000 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7573 0.0604 -0.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7137 1.0418 -0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9817 0.9910 -1.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3572 -0.0490 -1.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4123 -1.0125 -2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1398 -0.9503 -1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4787 -3.6558 -1.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6311 -2.0032 -2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1809 -3.3520 0.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9615 -0.4663 2.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3769 -2.1939 2.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1114 -1.8356 2.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6885 -0.1337 -1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3308 0.7404 0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 -0.9828 -0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3506 -0.0785 1.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0516 1.3243 -1.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9663 0.7328 2.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9835 2.5279 2.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4493 1.6621 2.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5808 3.6458 -0.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2244 2.9126 -0.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3259 3.9015 0.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 -1.5060 -1.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2129 1.0508 0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4631 1.8714 0.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7384 1.7494 -0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3423 -0.0871 -2.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6806 -1.8363 -2.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4569 -1.7319 -1.9449 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 3 8 9 1 0 8 10 1 0 3 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 16 1 0 1 22 1 0 1 23 1 0 2 24 1 0 4 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 9 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 10 38 1 0 14 39 1 0 15 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 M END