HMDB0035822 RDKit 3D Glucosyl 6-hydroxy-2,6-dimethyl-2E,7-octadienoate 50 50 0 0 0 0 0 0 0 0999 V2000 6.9069 0.4669 -0.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7177 0.0103 -1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8716 -0.8664 -0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1300 -1.9015 -1.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7306 -1.5582 0.5679 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9537 -0.0461 0.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 0.8304 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1894 1.5700 0.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9011 1.4736 0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1884 2.3405 1.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1035 0.5860 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 -0.1769 -0.8735 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3033 0.5347 0.1489 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -0.3259 -0.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9413 0.4364 -1.3866 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1499 0.7901 -0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1075 0.8852 -2.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3649 1.2513 -1.6818 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8002 -0.0403 0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5126 0.4848 1.3512 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2716 -1.4552 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8287 -2.2143 1.0059 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7856 -1.3411 0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1664 -2.5914 0.1457 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 1.1007 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3344 0.2078 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3515 0.2997 -2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8982 -2.4861 -1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6367 -2.5839 -0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4652 -1.4527 -1.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1538 -2.2106 1.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5724 0.5711 1.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3203 -0.7050 1.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5742 0.3007 -1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6519 1.6398 -0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7366 2.2708 1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8804 2.6084 2.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2748 3.1673 1.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6076 1.7038 2.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4304 -0.8750 -1.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0983 1.8491 -0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7088 1.5713 -2.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1790 -0.1170 -2.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0211 0.5128 -1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8923 -0.0789 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4756 1.4713 1.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5163 -1.8885 -0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7152 -1.8224 1.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6734 -1.0140 1.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3962 -3.1833 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 3 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 14 1 0 1 25 1 0 1 26 1 0 2 27 1 0 4 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 10 37 1 0 10 38 1 0 10 39 1 0 14 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 20 46 1 0 21 47 1 0 22 48 1 0 23 49 1 0 24 50 1 0 M END