HMDB0030825 RDKit 3D 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1-propanol 56 57 0 0 0 0 0 0 0 0999 V2000 -6.4344 -2.2829 3.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1797 -1.8199 1.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3049 -0.6363 1.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0668 -0.8907 0.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0703 -1.7429 1.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8706 -1.9404 0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9302 -2.8001 1.2299 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2244 -3.4502 2.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6405 -1.2715 -0.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4291 -1.4667 -1.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7234 -0.6963 -0.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -1.7350 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3814 -0.0093 -1.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 0.8357 -2.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 0.8192 -1.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3146 1.4949 -2.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3865 2.2782 -2.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7452 2.4210 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8283 3.2079 -0.3182 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6658 3.9306 -1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9819 1.7436 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3441 1.8877 1.5436 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6727 1.2679 2.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9044 0.9565 -0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5844 -0.4270 -1.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4158 0.2772 -2.2155 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3624 1.1504 -2.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7891 -0.2426 -0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0765 -3.1470 3.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9603 -1.7737 3.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6349 -2.3538 0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0905 -0.1703 2.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8966 0.1243 1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2983 -2.2449 2.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5339 -2.7204 3.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0193 -4.2233 2.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2898 -3.9879 2.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3909 0.0237 -0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7087 -1.5719 -0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 -2.7695 -0.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5444 -1.7317 0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7652 -0.7600 -2.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1951 1.5903 -2.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0274 1.3839 -3.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9699 2.8031 -2.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3501 5.0004 -1.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6993 3.8618 -0.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7638 3.5053 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9843 0.2025 2.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5867 1.2699 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 1.7979 3.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3436 0.4682 0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8533 1.7779 -3.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7244 1.7875 -1.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2247 0.5941 -3.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5551 0.4048 -0.7056 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 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 6 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 22 23 1 0 21 24 2 0 9 25 1 0 25 26 1 0 26 27 1 0 25 28 2 0 28 4 1 0 24 15 1 0 1 29 1 0 1 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 5 34 1 0 8 35 1 0 8 36 1 0 8 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 14 43 1 0 16 44 1 0 17 45 1 0 20 46 1 0 20 47 1 0 20 48 1 0 23 49 1 0 23 50 1 0 23 51 1 0 24 52 1 0 27 53 1 0 27 54 1 0 27 55 1 0 28 56 1 0 M END