HMDB0036628 RDKit 3D 9-Hydroxy-4-methoxypsoralen 25 27 0 0 0 0 0 0 0 0999 V2000 2.5877 -1.4450 -0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6685 -0.7253 -1.2213 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 -0.0841 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8544 1.2291 -0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9011 2.1220 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 3.3051 0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2942 3.1126 0.7799 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1447 1.9161 0.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3552 1.2590 0.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3758 1.9069 1.3834 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5575 -0.0405 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7118 -0.6656 0.5416 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9233 -1.9025 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0526 -2.4467 0.3989 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9764 -2.6554 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -2.0340 -0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5589 -0.7266 -0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0687 -2.2831 0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9148 -0.7549 0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4377 -1.8141 -0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 1.8916 -0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1304 4.2161 0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 2.8615 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2054 -3.6691 -0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0166 -2.5733 -1.2657 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 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 3 1 0 8 4 1 0 17 11 2 0 1 18 1 0 1 19 1 0 1 20 1 0 5 21 1 0 6 22 1 0 10 23 1 0 15 24 1 0 16 25 1 0 M END