HMDB0040460 RDKit 3D 4-Methylbenzyl alcohol acetate 24 24 0 0 0 0 0 0 0 0999 V2000 3.9706 1.2790 -0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8432 0.3131 -0.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1748 0.1108 -1.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4736 -0.4010 0.6778 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4299 -1.3181 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 -0.7641 0.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 0.5787 0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4657 0.9915 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4908 0.1084 -0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 0.5670 -0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2344 -1.2436 0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 -1.6546 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8998 0.8624 -0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 2.2334 0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2063 1.5425 -1.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5707 -2.1811 0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 -1.6960 1.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6412 1.3091 0.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6504 2.0498 -0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5569 -0.1669 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0812 0.5245 -1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0609 1.5994 -0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0651 -1.9204 -0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -2.7238 0.4117 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 9 11 1 0 11 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 10 20 1 0 10 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 M END