HMDB0034123 RDKit 3D Eugenyl isovalerate 38 38 0 0 0 0 0 0 0 0999 V2000 6.0391 1.8161 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 0.7419 0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3347 0.4364 1.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9516 0.3580 0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2096 1.5229 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9296 1.4699 0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3391 0.3178 -0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9746 0.3161 -0.8771 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0408 0.0774 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7679 -0.1311 1.1801 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4443 0.0551 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3564 -0.2334 0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1828 0.8322 1.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7946 -0.2643 0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0988 -0.8399 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -2.0158 -0.8118 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2994 -3.1977 -0.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3996 -0.8170 0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0311 2.5476 0.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7041 1.9830 -0.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3078 0.0242 -0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3534 1.2018 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6337 -0.5806 1.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6552 2.4497 0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 2.3862 0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6397 -0.6809 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7443 1.0522 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0394 -1.1888 1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5102 0.5271 2.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1698 1.1486 2.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7247 1.7131 1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9010 -0.7554 -0.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3692 -0.7887 1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2101 0.7546 0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4501 -3.4920 0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2782 -3.0358 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7135 -3.9839 -1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9738 -1.7265 0.1852 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 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 7 15 1 0 15 16 1 0 16 17 1 0 15 18 2 0 18 4 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 5 24 1 0 6 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 17 35 1 0 17 36 1 0 17 37 1 0 18 38 1 0 M END