HMDB0041473 RDKit 3D (3-Methylphenyl)methyl acetate 24 24 0 0 0 0 0 0 0 0999 V2000 3.8221 1.7587 0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2568 0.3934 0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9394 -0.6604 0.3354 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8808 0.2569 0.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 -1.0327 0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -0.9352 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8817 -2.1212 -0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2565 -2.0738 -0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9524 -0.8927 -0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2287 0.2793 -0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9674 1.5585 -0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8425 0.2720 -0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1304 2.4639 -0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9618 2.1398 1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7967 1.8450 -0.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7121 -1.6175 -0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5509 -1.5445 1.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -3.0894 0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7909 -3.0196 -0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0437 -0.8573 -0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9557 1.5028 0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2031 1.7861 -1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 2.3984 0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2579 1.1894 -0.0324 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 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 6 1 0 1 13 1 0 1 14 1 0 1 15 1 0 5 16 1 0 5 17 1 0 7 18 1 0 8 19 1 0 9 20 1 0 11 21 1 0 11 22 1 0 11 23 1 0 12 24 1 0 M END