HMDB0041199 RDKit 3D Vitexin 6''-(3-hydroxy-3-methylglutarate) 69 72 0 0 0 0 0 0 0 0999 V2000 5.8035 0.3352 1.7669 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0908 1.0491 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8697 0.1744 -0.3113 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9662 2.2652 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2785 1.9520 1.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6170 0.7697 1.5103 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1534 2.9686 1.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8783 1.5078 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9704 0.3773 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3072 -0.7840 -0.3061 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 0.5679 -1.3282 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9565 -0.4739 -1.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -1.2518 -0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6524 -0.4573 0.2578 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6751 -0.1728 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3365 0.1416 1.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5801 0.3980 2.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 0.2993 2.2195 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0676 0.7286 3.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 0.8309 3.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9284 1.1642 4.9681 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2576 0.5885 2.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6306 0.6823 2.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1939 0.9856 3.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4013 0.4384 1.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8278 0.1009 0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7045 -0.1437 -0.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0671 -0.0259 -0.6975 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8879 -0.2655 -1.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3289 -0.6350 -3.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1658 -0.8716 -4.1016 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9715 -0.7603 -3.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1706 -0.5134 -1.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5348 0.0356 0.3921 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7011 0.2439 1.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -0.8349 -1.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6124 0.0447 -2.2153 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5676 -1.9750 -1.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2047 -1.6757 -3.1369 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6338 -2.4400 -1.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5024 -3.1191 -1.9353 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9046 -0.7654 1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5655 0.6230 2.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 0.5921 2.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0165 -0.6864 0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0775 2.7490 -0.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4409 3.0225 1.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1593 2.8148 1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2567 2.0063 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3218 2.2640 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1268 0.0088 -2.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4272 -1.1769 -2.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2187 -1.6751 0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5115 0.9246 -0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3827 0.4757 3.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4592 0.9241 4.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8008 1.2894 5.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4625 0.5113 1.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5593 0.2606 0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9633 -0.1635 -1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1575 -0.7850 -4.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5256 -1.0512 -4.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1384 -0.6360 -2.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3316 -1.2177 -0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7785 -0.4829 -3.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2512 -2.8730 -1.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3829 -2.4017 -3.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -3.1157 -0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1473 -3.6853 -1.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 2 8 1 0 8 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 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 30 32 1 0 32 33 2 0 26 34 1 0 34 35 1 0 15 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 40 13 1 0 35 16 1 0 35 22 2 0 33 27 1 0 1 42 1 0 1 43 1 0 1 44 1 0 3 45 1 0 4 46 1 0 4 47 1 0 7 48 1 0 8 49 1 0 8 50 1 0 12 51 1 0 12 52 1 0 13 53 1 0 15 54 1 0 18 55 1 0 19 56 1 0 21 57 1 0 25 58 1 0 28 59 1 0 29 60 1 0 31 61 1 0 32 62 1 0 33 63 1 0 36 64 1 0 37 65 1 0 38 66 1 0 39 67 1 0 40 68 1 0 41 69 1 0 M END