HMDB0034160 RDKit 3D (±)-Citronellyl acetate 36 35 0 0 0 0 0 0 0 0999 V2000 4.4027 2.0915 -0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9329 0.8624 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5666 -0.2011 -0.0178 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8618 0.7614 1.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4226 -0.3934 1.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 -1.5282 0.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8304 -1.2874 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0988 -0.2041 -1.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4793 -1.1478 0.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5815 -0.9087 -0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9068 -0.7696 0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 0.3124 0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9477 0.4073 0.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2069 1.5017 -0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4773 2.2622 -0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4382 1.8760 -1.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7844 2.9677 -0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5309 -0.0968 2.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1451 -0.7862 2.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6569 -2.3423 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7905 -2.0001 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7246 -2.2387 -0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3206 -0.2626 -1.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0916 -0.4709 -1.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 0.8034 -0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6877 -2.1140 1.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4663 -0.3788 1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6154 -1.8045 -1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4479 -0.0071 -0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2794 -1.5941 0.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7211 0.6486 0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1859 -0.5389 1.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8598 1.2211 1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2235 1.2270 -1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8227 2.3853 -0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1777 1.7470 -0.2209 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 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 3 12 13 1 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 M END