HMDB0257032 RDKit 3D quinalizarin 28 30 0 0 0 0 0 0 0 0999 V2000 -0.5559 -2.7018 -0.7483 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4189 -1.5012 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9597 -0.9979 -0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0627 -1.7958 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3379 -1.2448 -0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5264 0.0695 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 0.6250 0.2658 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4018 0.8530 0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5767 2.1730 0.6441 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1474 0.3092 0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0394 1.1524 0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2054 2.3331 0.6407 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4012 0.6946 0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4726 1.5148 0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3562 2.8304 0.7255 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7728 1.0153 0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9594 -0.2698 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8688 -1.1398 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1265 -2.4257 -0.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 -0.6503 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9397 -2.8202 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1892 -1.8696 -0.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6176 0.0775 0.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4664 2.5893 0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 3.3555 0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5859 1.6930 0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9467 -0.7141 -0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5443 -3.1545 -0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 2 1 0 10 3 1 0 20 13 1 0 4 21 1 0 5 22 1 0 7 23 1 0 9 24 1 0 15 25 1 0 16 26 1 0 17 27 1 0 19 28 1 0 M END