HMDB0038257 RDKit 3D Geranyl phenylacetate 44 44 0 0 0 0 0 0 0 0999 V2000 -4.9726 -0.5275 -1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0874 -0.0860 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1890 -0.5996 0.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2026 0.7660 0.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0758 1.2907 -0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7161 0.8480 0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 1.3446 -0.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 2.8369 -0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1016 0.5486 -1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0215 -0.9032 -1.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1919 -1.5232 -0.5902 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8753 -1.2268 0.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5013 -0.3316 1.3092 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1126 -2.0051 0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3425 -1.2732 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9450 -1.4575 -0.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0744 -0.7812 -1.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 0.1367 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0802 0.3284 1.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9304 -0.3799 1.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 -1.2508 -1.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0655 0.3540 -1.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9346 -0.9248 -1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9882 -1.6688 1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1606 -0.5676 0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3093 0.0006 1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2897 1.0773 1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 0.9684 -1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 2.4231 -0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7132 -0.1704 0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6076 1.4783 1.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3234 3.3864 -0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 3.2184 -0.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9025 3.0485 -1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8358 1.0043 -1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8765 -1.3129 -0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0486 -1.3048 -2.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0798 -2.9654 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 -2.2103 2.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4475 -2.1775 -1.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -0.9350 -2.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5684 0.6512 -0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5452 1.0484 1.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5225 -0.1757 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 15 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 8 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 14 38 1 0 14 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 M END