HMDB0255489 RDKit 3D 6,7,8,9-Tetrahydro-5-hydroxy-5H-benzocyclohept-6-ylideneacetic acid 30 31 0 0 0 0 0 0 0 0999 V2000 4.0465 -0.8799 2.0131 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2977 -0.3884 1.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 0.7784 0.4514 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0863 -1.0658 0.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2559 -0.6740 -0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4502 0.5197 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8412 1.7649 -0.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1092 1.5100 0.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2229 0.5924 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4693 1.1725 0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5909 0.4589 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4885 -0.8589 -0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2671 -1.4618 -0.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1467 -0.7229 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0546 -1.5797 -0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1009 -2.6434 0.5033 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4960 1.3102 0.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -1.9942 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8774 0.3693 -2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 0.6991 -1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 2.4502 -0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2752 2.3733 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5653 2.4679 0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4474 1.1343 1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5553 2.1907 0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5812 0.8716 0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3793 -1.4364 -0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2197 -2.4905 -0.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 -1.9488 -1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3631 -2.5189 1.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 3 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 5 1 0 14 9 1 0 3 17 1 0 4 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 15 29 1 0 16 30 1 0 M END