HMDB0037229 RDKit 3D Citronellyl pentanoate 45 44 0 0 0 0 0 0 0 0999 V2000 6.1479 -0.5253 1.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0560 -0.2616 -0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2902 1.0039 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9013 1.0044 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1037 -0.0478 -0.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5656 -0.7779 -1.6144 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7699 -0.2910 -0.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0494 -1.2931 -1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3631 -1.3115 -0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9752 0.0161 -0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1787 1.1560 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 0.0342 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2617 -0.9888 -0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6339 -0.9867 -0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2877 -0.1859 0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8321 1.0406 1.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7672 -0.5923 0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 -0.7356 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8416 -1.3677 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5379 0.3734 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1083 -0.0332 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7271 -1.1281 -0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2447 1.3047 -1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8531 1.8117 -0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 0.8488 1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3811 1.9549 -0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5096 -2.2858 -0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8947 -1.0677 -2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9118 -2.1883 -0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1911 -1.4076 0.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 0.2923 -1.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9581 1.9546 0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 0.8700 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 1.6239 -0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7825 1.0454 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2662 -0.2643 1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2207 -0.8792 -1.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8126 -2.0334 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2541 -1.8593 -0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7806 1.8978 0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6907 1.3821 1.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9624 0.8955 1.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7916 -1.6852 0.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0851 -0.1272 1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3521 -0.1793 0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 3 15 16 1 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 17 45 1 0 M END