HMDB0031971 RDKit 3D Xanthotoxol arabinoside 38 41 0 0 0 0 0 0 0 0999 V2000 -0.9174 -0.3540 -4.2665 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6279 -0.4505 -3.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8611 -1.0271 -3.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6214 -1.1269 -2.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0857 -0.6256 -0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7910 -0.6964 0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2426 -0.1912 1.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7363 -0.1334 2.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7384 0.4806 3.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7375 0.7684 2.6144 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0003 0.3787 1.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2609 0.4605 0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 1.0240 0.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1894 0.3582 0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9186 0.8678 1.4509 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 -0.0221 1.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7067 -0.5397 0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0618 -0.4722 0.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4855 0.2351 -0.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2442 1.4215 -0.5033 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0398 0.5441 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9525 1.8992 -1.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8336 -0.0496 -0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1631 0.0078 -2.0878 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2163 -1.3971 -4.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5877 -1.5762 -2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7762 -1.1475 0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6901 -0.5086 2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8425 0.6659 4.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9587 -0.7120 0.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5679 0.4394 2.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4223 -0.9115 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 -1.6167 0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5827 -0.0618 0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8509 -0.3711 -1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9762 2.0780 -1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5816 -0.0861 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8077 2.4482 -0.3991 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 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 12 23 2 0 23 24 1 0 24 2 1 0 23 5 1 0 11 7 2 0 21 14 1 0 3 25 1 0 4 26 1 0 6 27 1 0 8 28 1 0 9 29 1 0 14 30 1 0 16 31 1 0 16 32 1 0 17 33 1 0 18 34 1 0 19 35 1 0 20 36 1 0 21 37 1 0 22 38 1 0 M END