HMDB0033683 RDKit 3D Melilotocarpan E 39 42 0 0 0 0 0 0 0 0999 V2000 5.8472 1.8445 0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 0.6044 0.0051 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9912 0.3328 0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1813 1.2890 0.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8451 0.9944 0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -0.2069 0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 -1.1994 -0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4588 -0.8960 -0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3229 -1.8264 -0.7966 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5748 -2.4174 -0.4747 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1525 -2.6235 -0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4662 -1.2828 -0.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9172 -1.1930 -0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9883 -1.9307 -1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2767 -1.5387 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5418 -0.4008 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8583 -0.0429 0.1504 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4972 0.3615 0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7904 1.5028 1.1513 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9560 2.7778 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1984 -0.0560 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 0.5493 0.5461 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0926 -0.5407 0.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 2.6374 -0.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5844 2.1019 1.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9462 1.8085 0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5911 2.2618 1.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1856 1.7184 1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2984 -1.6368 -0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1114 -3.3295 -1.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -3.0769 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0823 -0.6805 -1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7931 -2.8206 -1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1269 -2.1213 -1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0712 0.7853 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6730 2.7559 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3175 3.4420 1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 3.2339 0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2741 -1.1807 1.5202 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 2 0 8 9 1 0 7 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 18 21 2 0 21 22 1 0 22 23 1 0 8 3 1 0 23 12 1 0 23 6 1 0 21 13 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 5 28 1 0 9 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 14 33 1 0 15 34 1 0 17 35 1 0 20 36 1 0 20 37 1 0 20 38 1 0 23 39 1 0 M END