HMDB0039891 RDKit 3D 4-Hydroxy-3-prenylbenzoic acid glucoside 50 51 0 0 0 0 0 0 0 0999 V2000 -5.9341 0.4240 -1.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 0.3289 -1.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 1.0686 -2.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7998 -0.4053 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3361 -0.5029 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 -0.0187 0.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6308 0.4556 1.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1056 0.9063 2.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9764 1.4181 4.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4799 1.8222 5.1055 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3349 1.4278 3.7983 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7297 0.8843 3.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1079 0.4021 2.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4037 -0.0484 0.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4148 -0.5157 0.0041 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7832 -0.6487 -0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3187 0.1515 -1.0696 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6431 0.4861 -0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3367 1.0279 -1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6429 1.3817 -1.7457 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3729 -0.6786 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6724 -0.6654 -0.6907 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7632 -1.9997 -0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3078 -2.9446 0.4233 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2637 -2.0579 -0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6847 -2.6061 -1.4551 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2039 1.4585 -1.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2504 0.1852 -2.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4079 -0.3115 -0.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9112 1.7604 -1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2968 1.6859 -3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0608 0.3574 -3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3821 -0.9463 0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 0.0010 -1.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0258 -1.5852 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7048 0.4965 1.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7666 2.1572 3.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3565 1.2454 4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1591 0.4211 2.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 -0.3001 0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 1.2928 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8176 1.9066 -2.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3338 0.2573 -2.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9002 2.1906 -2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 -0.5296 0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2707 -1.1780 -0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0677 -2.3177 -1.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1254 -2.6756 1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9602 -2.7490 0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5545 -1.9158 -2.1568 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 8 9 1 0 9 10 2 0 9 11 1 0 8 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 14 6 1 0 25 16 1 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 7 36 1 0 11 37 1 0 12 38 1 0 13 39 1 0 16 40 1 0 18 41 1 0 19 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 25 49 1 0 26 50 1 0 M END