HMDB0258611 RDKit 3D Sulfuretin 30 32 0 0 0 0 0 0 0 0999 V2000 0.2595 0.8353 3.2935 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3306 0.4079 2.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2098 0.2868 0.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4419 0.6406 0.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0003 0.5390 -0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6966 -0.5687 -1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1919 -0.7200 -2.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 0.2244 -3.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5288 0.0974 -4.6034 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3354 1.3571 -2.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 2.3053 -3.1637 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8278 1.4845 -1.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8273 -0.2336 0.1791 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9449 -0.4476 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2061 -0.9437 0.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2017 -1.0722 1.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4666 -1.5847 1.2725 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 -0.6848 2.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 -0.1828 3.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7067 -0.0696 2.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 1.0457 1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0535 -1.3151 -1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9102 -1.6292 -3.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 -0.7452 -5.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4078 3.1396 -2.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0802 2.3707 -0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4674 -1.2624 -0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6088 -2.5917 1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6892 -0.7850 3.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 0.1023 4.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 2 0 3 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 2 0 20 2 1 0 12 5 1 0 20 14 1 0 4 21 1 0 6 22 1 0 7 23 1 0 9 24 1 0 11 25 1 0 12 26 1 0 15 27 1 0 17 28 1 0 18 29 1 0 19 30 1 0 M END