HMDB0039248 RDKit 3D 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol 53 54 0 0 0 0 0 0 0 0999 V2000 -4.5669 -1.5064 -0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9964 -1.6209 0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3129 -1.0163 1.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0973 -0.2696 1.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8978 -0.9324 1.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7091 -0.2751 0.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 -0.9654 0.8808 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 -2.3401 1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7621 1.0584 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4181 1.7441 0.2576 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 1.8051 -1.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3834 3.1800 -1.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 1.7098 -1.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6411 1.7722 -2.6134 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 0.5105 -0.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4991 0.5487 0.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0865 -0.5619 1.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0764 -1.7672 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 -2.9239 0.9843 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4653 -1.8433 -0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4525 -3.0557 -1.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8318 -3.1312 -2.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8825 -0.7082 -1.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 1.7656 0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9786 3.1165 0.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2026 3.8166 0.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1003 1.0675 0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1059 -1.9682 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6695 -0.9519 -1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8975 -2.1825 0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0164 -0.2671 2.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0255 -1.7951 2.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8239 -1.9975 1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0295 -2.5062 2.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4572 -2.8111 1.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1978 -2.9114 0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1781 1.0945 -1.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 3.3242 -2.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6496 3.1514 -2.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4928 3.9719 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 2.6128 -0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9526 2.6787 -2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 1.4943 1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5721 -0.5246 2.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1065 -2.9303 1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2014 -2.3063 -3.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7221 -3.1077 -2.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 -4.1321 -3.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4045 -0.7568 -2.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5826 3.9494 1.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0937 4.8406 -0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9912 3.2602 -0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0456 1.5937 0.9833 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 18 20 1 0 20 21 1 0 21 22 1 0 20 23 2 0 9 24 1 0 24 25 1 0 25 26 1 0 24 27 2 0 27 4 1 0 23 15 1 0 1 28 1 0 1 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 5 33 1 0 8 34 1 0 8 35 1 0 8 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 16 43 1 0 17 44 1 0 19 45 1 0 22 46 1 0 22 47 1 0 22 48 1 0 23 49 1 0 26 50 1 0 26 51 1 0 26 52 1 0 27 53 1 0 M END