HMDB0038225 RDKit 3D Glycycoumarin 47 49 0 0 0 0 0 0 0 0999 V2000 -0.6631 -2.2539 0.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0445 -0.9095 0.6649 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 -0.4865 -0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -0.5575 -1.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4561 -1.0557 -0.8338 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1139 0.0557 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4620 0.1038 1.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 -1.0132 2.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1221 1.3168 1.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 -0.1157 -2.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1809 -0.1621 -3.5588 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8564 0.3807 -3.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2659 0.4435 -2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4166 0.9147 -2.9331 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4956 0.9744 -2.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5563 1.4376 -2.7174 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4893 0.5559 -0.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7069 0.6011 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8821 0.0131 -0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0577 -0.0071 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1344 0.5600 1.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3162 0.5405 2.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9851 1.1450 1.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7912 1.1638 1.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6886 1.7730 1.7429 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3151 0.0743 -0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1724 0.0088 -1.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2222 -2.7353 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1526 -2.3053 1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5124 -2.8814 1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 -1.8653 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 -1.5345 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3365 0.9725 -0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2061 -1.6016 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0772 -0.6111 3.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3995 -1.6640 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 2.0324 2.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8826 1.0015 2.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6345 1.8943 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0496 -0.4979 -3.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8123 0.7099 -4.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8201 -0.4293 -1.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9564 -0.4694 -0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0050 1.2818 2.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0573 1.5861 2.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7863 1.8865 1.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2524 -0.2715 0.6428 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 1 0 6 7 2 3 7 8 1 0 7 9 1 0 4 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 17 26 2 0 26 27 1 0 27 3 1 0 27 13 2 0 24 18 1 0 1 28 1 0 1 29 1 0 1 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 8 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 9 39 1 0 11 40 1 0 12 41 1 0 19 42 1 0 20 43 1 0 22 44 1 0 23 45 1 0 25 46 1 0 26 47 1 0 M END