HMDB0301863 RDKit 3D Apigenin 7-(6''-malonylglucoside) 60 63 0 0 0 0 0 0 0 0999 V2000 9.8912 0.2505 -0.8921 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6940 -0.1452 -0.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6505 0.6811 -0.5455 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4609 -1.4825 -1.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0198 -1.8132 -1.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6824 -2.9298 -2.0758 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0245 -0.9729 -1.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6455 -1.3171 -1.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7996 -0.1667 -0.6501 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5034 -0.5434 -0.7262 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7136 -0.2492 0.3815 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4021 -0.5782 0.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6952 0.2313 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6376 1.5822 0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7782 2.3680 0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7121 3.7380 0.6723 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0220 1.7932 0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1313 2.6029 0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0247 3.8367 0.4412 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3735 1.9892 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4675 2.8103 0.0106 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4205 0.6401 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6751 -0.0694 -0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9173 0.5059 -0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0852 -0.2293 -0.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9533 -1.5730 -0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0965 -2.3274 -1.2243 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7109 -2.1951 -0.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6134 -1.4417 -0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2995 -0.0847 -0.2347 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 0.4386 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9735 -0.2882 -0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3702 -1.0613 1.5148 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5266 -1.2324 2.5748 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5837 -0.2146 1.8666 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3638 -0.8530 2.8359 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3510 0.1918 0.6692 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5299 1.5848 0.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8804 1.3779 0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8507 -1.4531 -2.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0118 -2.2753 -0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5208 -2.2105 -0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3662 -1.5453 -2.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 0.6709 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8478 0.8278 0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3143 2.0705 0.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8273 4.1742 0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4409 3.7876 0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0342 1.5510 -0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0211 0.2785 -0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5929 -2.7383 -0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6885 -3.2608 -1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6532 -1.9415 -0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0536 -1.3562 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7707 -2.0216 1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7018 -1.6576 2.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1603 0.6857 2.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 -0.1343 3.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3988 -0.2174 0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0889 1.9114 -0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 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 1 0 15 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 22 30 1 0 30 31 1 0 31 32 2 0 11 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 9 1 0 32 13 1 0 31 17 1 0 29 23 1 0 3 39 1 0 4 40 1 0 4 41 1 0 8 42 1 0 8 43 1 0 9 44 1 6 11 45 1 1 14 46 1 0 16 47 1 0 21 48 1 0 24 49 1 0 25 50 1 0 27 51 1 0 28 52 1 0 29 53 1 0 32 54 1 0 33 55 1 6 34 56 1 0 35 57 1 1 36 58 1 0 37 59 1 1 38 60 1 0 M END