HMDB0037686 RDKit 3D 7-Hydroxy-5-methoxyflavan 35 37 0 0 0 0 0 0 0 0999 V2000 -4.9803 1.2900 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5802 1.2169 -0.2052 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 0.0319 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5018 -1.1783 0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7993 -2.3487 0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4469 -3.5708 0.4575 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4153 -2.2346 0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7621 -1.0341 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4901 0.1259 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8301 1.4583 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5617 1.3391 0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2291 0.1819 -0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 0.2158 -0.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3315 -0.1554 0.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6885 -0.0923 0.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 0.3270 -0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 0.7018 -1.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4499 0.6351 -1.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6466 -1.0007 0.0636 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2725 2.1999 -0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3788 0.4275 -0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4203 1.3759 0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5747 -1.2212 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9651 -4.4360 0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8713 -3.1700 0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 2.2782 0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 1.6256 -1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1488 2.2609 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4432 0.9919 1.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9612 0.2759 -1.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7079 -0.4779 1.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2107 -0.3835 1.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5303 0.3715 -0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4293 1.0321 -2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9812 0.9401 -2.3139 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 1 0 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 12 19 1 0 9 3 1 0 18 13 1 0 19 8 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 6 24 1 0 7 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 14 31 1 0 15 32 1 0 16 33 1 0 17 34 1 0 18 35 1 0 M END