HMDB0039685 RDKit 3D 8-Ocimenyl acetate 32 31 0 0 0 0 0 0 0 0999 V2000 -1.1304 0.8511 -5.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8663 1.0622 -3.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 0.2514 -2.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1407 -0.9420 -3.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9487 0.6001 -1.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4028 -0.2354 -0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2439 -0.8072 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0683 -0.6270 1.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7937 0.2273 2.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2776 -1.3254 2.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2939 -0.5572 2.4983 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4261 0.2983 3.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6967 1.0273 3.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4518 0.5185 4.2687 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7211 0.0254 -5.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 1.5078 -6.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2474 1.9444 -3.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3808 -1.1235 -4.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1163 -0.7829 -2.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6527 -1.8743 -2.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3417 1.4694 -1.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1059 0.3423 0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9952 -1.1148 -0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -1.4620 -0.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4272 1.2469 2.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8969 -0.2133 3.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8346 0.2865 1.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6934 -1.9672 1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8862 -2.0835 2.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 0.9618 2.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1607 0.4486 4.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5283 2.0464 4.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 3 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 1 15 1 0 1 16 1 0 2 17 1 0 4 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 9 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 13 30 1 0 13 31 1 0 13 32 1 0 M END