HMDB0033067 RDKit 3D (-)-erythro-Anethole glycol 2-glucoside 48 49 0 0 0 0 0 0 0 0999 V2000 7.6210 -0.2066 0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6009 -0.5689 -0.5438 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 -0.4193 -0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 0.0967 1.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5608 0.2562 1.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5296 -0.0983 0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1168 0.0811 0.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9057 -0.3984 2.2021 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -0.6074 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3393 -2.1061 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -0.3559 0.3284 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8603 0.3427 -0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8903 -0.4380 -1.1448 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9565 -0.5556 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9856 -1.4640 -0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3938 -0.8958 -2.1258 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5888 0.8222 -0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6754 1.2866 -1.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6119 1.7030 0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5523 1.2903 1.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2924 1.6818 -0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2805 2.6598 -1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 -0.6129 -0.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2451 -0.7738 -1.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6166 -0.8243 1.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3842 0.8411 0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6067 -0.1482 -0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6759 0.3811 1.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2954 0.6682 2.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8486 1.1559 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2613 0.1821 2.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3192 -0.1681 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4046 -2.5745 0.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0384 -2.4687 -1.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 -2.4267 0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1535 0.5118 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6784 -0.9334 0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8696 -1.4843 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6108 -2.4908 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6015 -0.7434 -2.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5854 0.7884 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5651 2.2553 -1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0199 2.7358 0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8905 0.5662 2.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5186 2.0212 0.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0348 3.5269 -0.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1503 -0.9112 -1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5216 -1.1797 -2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 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 6 23 1 0 23 24 2 0 24 3 1 0 21 12 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 5 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 10 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 23 47 1 0 24 48 1 0 M END