HMDB0015257 RDKit 3D Anisindione 31 33 0 0 0 0 0 0 0 0999 V2000 5.8038 -0.0031 0.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9170 -0.1862 -0.4722 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5511 -0.1230 -0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 -0.2982 -1.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2735 -0.2336 -1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 0.0063 0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6401 0.0945 0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3772 1.1176 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9521 2.1471 -0.8661 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7874 0.6890 -0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 1.3809 -0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2079 0.7479 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2136 -0.6120 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0187 -1.3107 0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7893 -0.6712 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4015 -1.1431 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9985 -2.2993 -0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7047 0.1790 1.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0503 0.1159 0.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8479 -0.1993 0.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5452 -0.6568 1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6736 1.0389 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0361 -0.4887 -2.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5801 -0.3743 -1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 0.2928 1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9661 2.4351 -0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1528 1.2607 -0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1512 -1.1739 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 -2.3677 0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 0.3722 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7195 0.2634 1.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 6 18 1 0 18 19 2 0 19 3 1 0 16 7 1 0 15 10 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 5 24 1 0 7 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 14 29 1 0 18 30 1 0 19 31 1 0 M END