HMDB0032348 RDKit 3D Isoeugenyl acetate 29 29 0 0 0 0 0 0 0 0999 V2000 -5.1743 0.4156 0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8116 -0.1290 0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8229 0.4232 -0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4383 -0.0202 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 -1.0625 0.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2708 -1.4709 0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2307 -0.8233 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5528 -1.2283 0.1725 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4721 -0.7338 1.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8843 -1.1779 1.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0639 0.1526 1.8761 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8825 0.2239 -0.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8887 0.8404 -1.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5239 1.9201 -2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4398 0.6017 -0.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7887 -0.3933 -0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5854 0.6395 1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1901 1.2768 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6409 -0.9483 1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0052 1.2719 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7826 -1.6015 1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5567 -2.3048 1.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2015 -1.3085 2.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9808 -2.1368 0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5805 -0.4662 0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4873 2.3916 -2.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0376 1.5764 -3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8597 2.6494 -1.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7251 1.4222 -1.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 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 1 0 9 11 2 0 7 12 1 0 12 13 1 0 13 14 1 0 12 15 2 0 15 4 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 5 21 1 0 6 22 1 0 10 23 1 0 10 24 1 0 10 25 1 0 14 26 1 0 14 27 1 0 14 28 1 0 15 29 1 0 M END