HMDB0033294 RDKit 3D 5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone 47 48 0 0 0 0 0 0 0 0999 V2000 0.0785 -3.5587 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0633 -2.2108 0.9178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6783 -1.9729 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8502 -1.1355 0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7445 -0.8058 -1.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8981 0.0249 -0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1177 -0.4804 -0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1358 0.3917 0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9822 1.7461 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0056 2.6413 0.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7769 2.2624 -0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7462 1.3953 -0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1683 -1.4189 -1.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8205 -0.1514 -1.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2005 0.8864 -1.1294 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2346 -0.1070 -0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 1.3296 -0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1069 1.3184 0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1219 1.4004 -0.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4441 1.3847 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7338 1.2897 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7098 1.2085 1.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 1.2233 1.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6536 -3.7741 2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -3.9921 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -4.1091 0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0638 -2.9726 -0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4754 -0.1626 0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3878 -1.6277 0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1824 -0.2811 -1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1684 -1.7883 -1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2598 -1.5542 -0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0920 -0.0105 0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0111 2.9043 1.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6388 3.3323 -0.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8162 1.8584 -1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4653 -1.3952 -2.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9531 -2.1993 -1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3768 -0.6480 0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9239 -0.4954 -1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5899 1.9363 -1.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0523 1.8163 0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9012 1.4756 -1.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 1.4475 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7840 1.2819 1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9520 1.1349 2.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5817 1.1612 2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 3 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 12 6 1 0 23 18 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 7 32 1 0 8 33 1 0 10 34 1 0 11 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 16 39 1 0 16 40 1 0 17 41 1 0 17 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 M END