HMDB0060699 RDKit 3D (E)-2-Hydroxy-N-desmethyldoxepin 40 42 0 0 0 0 0 0 0 0999 V2000 4.6125 -1.7947 1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2623 -1.3810 1.4816 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0005 -0.0639 0.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5884 0.3670 1.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5102 -0.4617 0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4747 0.0263 -0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4691 1.4714 -0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7852 1.8467 -0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9436 3.2030 -0.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 4.0911 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3973 3.6124 -0.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 2.2750 -0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9855 1.9462 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4722 0.7166 -0.2693 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9265 -0.5262 -0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8171 -1.5087 -0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3667 -2.7795 -1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0053 -3.1020 -1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5175 -4.3675 -1.3496 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0736 -2.1280 -0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6013 -0.8942 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6274 -2.9126 1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2712 -1.4979 2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0357 -1.4583 0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5598 -2.0861 1.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6444 0.6407 1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3656 -0.1588 -0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 1.4018 1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5657 0.0850 2.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5273 -1.5192 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5732 1.1686 -0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 3.6376 -1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 5.1478 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 4.3428 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6234 2.7793 -0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 1.9979 1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8776 -1.2417 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0689 -3.5748 -1.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4457 -5.0098 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0104 -2.2905 -0.6884 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 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 2 0 21 6 1 0 12 7 1 0 21 15 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 8 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 13 35 1 0 13 36 1 0 16 37 1 0 17 38 1 0 19 39 1 0 20 40 1 0 M END