HMDB0001554 RDKit 3D Xanthylic acid 37 39 0 0 0 0 0 0 0 0999 V2000 -3.7586 2.4018 1.7693 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 1.4332 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6526 1.2079 0.1018 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6091 0.1841 -0.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5076 -0.0362 -1.5799 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -0.6848 -0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1666 -1.7766 -1.4185 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9845 -2.1944 -0.9643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5659 -1.4097 0.0281 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3205 -1.4810 0.7797 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0074 -0.1437 1.1104 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1728 0.1148 0.5995 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2037 1.2115 -0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4984 1.0765 -1.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4948 2.3566 -0.7232 P 0 0 0 0 0 5 0 0 0 0 0 0 3.3554 2.8090 0.7514 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0839 1.6598 -0.7638 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4494 3.6698 -1.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9388 -1.0860 0.2050 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6270 -1.5344 1.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7937 -2.0304 -0.0771 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2096 -3.2823 0.3488 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5048 -0.4653 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6513 0.5920 1.0381 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4746 1.8659 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4562 -3.0616 -1.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3702 -2.0487 1.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 0.6232 1.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 0.7933 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8776 2.1535 -0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0039 0.6767 -0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1894 3.6945 -2.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 -0.9512 -0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5464 -1.8047 1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5546 -2.0696 -1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2305 -3.2553 1.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9345 0.7921 1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 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 2 0 15 17 1 0 15 18 1 0 12 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 9 23 1 0 23 24 1 0 24 2 1 0 23 6 2 0 21 10 1 0 3 25 1 0 8 26 1 0 10 27 1 1 12 28 1 1 13 29 1 0 13 30 1 0 17 31 1 0 18 32 1 0 19 33 1 6 20 34 1 0 21 35 1 6 22 36 1 0 24 37 1 0 M END