HMDB0035447 RDKit 3D 5-Isopropyl-2-methylphenol acetate 30 30 0 0 0 0 0 0 0 0999 V2000 4.0544 1.8285 0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 0.9750 0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5847 0.6077 1.6634 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0452 0.5815 -0.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9193 -0.1988 -0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3299 0.3706 -0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4584 -0.3830 -0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8048 0.1810 0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 1.0492 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8926 1.0235 1.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3144 -1.7572 -0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0836 -2.3583 -0.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0517 -1.5682 -0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3906 -2.1428 -0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9430 1.1722 0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9123 2.3108 -0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1886 2.6071 0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4115 1.4435 -0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5586 -0.6294 0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3797 1.4360 -1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9108 0.4878 -1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8157 1.9443 -0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5854 0.5711 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3027 2.0489 1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 1.1058 1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1929 -2.3907 -0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0302 -3.4350 -0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3761 -2.9421 -1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7403 -2.5659 0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0948 -1.3730 -1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 7 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 5 1 0 1 15 1 0 1 16 1 0 1 17 1 0 6 18 1 0 8 19 1 0 9 20 1 0 9 21 1 0 9 22 1 0 10 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 14 28 1 0 14 29 1 0 14 30 1 0 M END