HMDB0035136 RDKit 3D Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate 46 46 0 0 0 0 0 0 0 0999 V2000 -4.7825 1.2086 -2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9321 0.2432 -1.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7816 -0.9684 -1.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 0.4602 -0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4285 1.6537 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0688 1.1681 0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4816 1.4726 1.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1839 2.3051 2.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1459 0.9942 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4203 1.2800 2.6713 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5716 0.1963 0.7022 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8571 -0.2730 0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 0.3007 0.0741 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 -0.1733 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9576 0.6122 -0.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2877 0.1978 -0.5591 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1984 -1.6278 -0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8080 -2.3345 0.9907 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 -2.2233 -0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2863 -1.7568 -1.4207 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9801 -1.7636 0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6368 -2.2022 2.1188 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7146 1.3404 -2.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1708 2.2121 -2.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3347 0.8108 -3.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4516 -1.1016 -0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3789 -0.8601 -2.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1259 -1.8602 -1.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3837 -0.2232 0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4019 2.2375 -1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8261 2.3429 0.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5597 0.5613 -0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1899 1.8447 2.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6475 2.3516 3.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3515 3.3354 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1474 0.1125 1.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4267 0.0015 1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6743 0.4903 -1.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9187 1.7058 -0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7163 0.6087 0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7529 -1.8517 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9151 -1.7792 1.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9065 -3.3129 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6872 -2.2975 -2.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0085 -2.2745 0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 -3.1643 1.9907 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 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 12 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 8 33 1 0 8 34 1 0 8 35 1 0 12 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 22 46 1 0 M END