HMDB0060630 RDKit 3D (E)-2-hydroxydoxepin 43 45 0 0 0 0 0 0 0 0999 V2000 3.6428 0.4316 -2.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3963 0.6869 -0.8648 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7054 0.9238 -0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -0.4540 -0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3701 -0.7022 -0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3927 0.3691 -0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 0.2006 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6973 1.3623 0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9509 2.4577 0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6545 3.6386 0.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0475 3.6629 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7252 2.5010 0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 1.2782 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9976 0.1801 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 -1.0939 -0.5034 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3745 -1.7581 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -3.0595 0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4956 -3.7639 1.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2778 -3.1266 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7611 -3.8170 1.9289 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0974 -1.7912 1.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1496 -1.1790 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7852 -0.6624 -2.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7603 0.7450 -2.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 0.9960 -2.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5343 0.5927 -0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7213 1.9953 0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7309 0.3636 0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4592 -1.2821 -0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7521 -0.2026 0.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0473 -1.6928 -0.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5377 -0.4498 -1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6144 1.4131 -0.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1081 2.3764 0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1514 4.5527 0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5901 4.5971 0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7967 2.5753 0.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7362 0.1625 0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5924 0.4517 -1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4819 -3.5288 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6224 -4.8067 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8998 -3.8853 2.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7557 -1.2585 1.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 7 1 0 13 8 1 0 22 16 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 14 38 1 0 14 39 1 0 17 40 1 0 18 41 1 0 20 42 1 0 21 43 1 0 M END