HMDB0038773 RDKit 3D Formononetin 7-(2-p-hydroxybenzoylglucoside) 66 70 0 0 0 0 0 0 0 0999 V2000 11.1973 -0.2756 1.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4448 0.5600 0.5546 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0933 0.3041 0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4841 -0.7604 1.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1356 -1.0041 0.8389 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3836 -0.2017 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9692 -0.5069 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5661 -1.8117 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 -2.0708 -0.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3287 -1.2031 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 -1.5232 -0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0324 -0.5947 -0.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3296 -1.0076 -0.6844 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4906 -0.2361 -0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2138 -0.3335 -1.8612 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6515 -1.5964 -2.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 -2.2116 -3.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5639 -2.2906 -3.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6043 -2.5784 -1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4535 -3.6605 -1.2518 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9718 -1.9924 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3623 -1.9320 0.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3926 -0.6149 0.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4473 0.3216 0.5814 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6929 1.1696 1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9186 1.1114 2.6208 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7969 2.1205 1.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7009 2.2404 0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7462 3.1652 0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9179 3.9922 1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9575 4.9173 1.8505 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0124 3.8704 2.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9643 2.9445 2.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3604 0.7070 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7035 1.0765 -0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6808 0.1240 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 0.4727 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3299 1.6812 0.1025 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9712 0.8623 -0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3223 1.0953 -0.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9180 -0.1192 2.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0727 -1.3491 1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2813 -0.0456 1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0941 -1.3847 1.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6505 -1.8421 1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3340 -2.5991 -0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7814 -2.5842 -0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 0.8263 -0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7255 -1.5133 -2.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1164 -1.5561 -4.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3001 -3.2281 -3.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -3.1915 -3.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5783 -2.9991 -0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4009 -3.3707 -1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6431 -2.6729 1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6987 -1.1843 -0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7553 -0.6269 1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5629 1.5897 -0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4426 3.2420 -0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8693 5.8658 1.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1457 4.5227 3.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2715 2.8769 3.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3758 1.4892 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 2.1297 -0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3470 1.4674 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7514 1.9270 -0.9557 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 9 10 1 0 10 11 2 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 16 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 30 32 1 0 32 33 2 0 12 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 6 39 1 0 39 40 2 0 40 3 1 0 37 7 1 0 36 10 1 0 23 14 1 0 33 27 1 0 1 41 1 0 1 42 1 0 1 43 1 0 4 44 1 0 5 45 1 0 8 46 1 0 11 47 1 0 14 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 18 52 1 0 19 53 1 0 20 54 1 0 21 55 1 0 22 56 1 0 23 57 1 0 28 58 1 0 29 59 1 0 31 60 1 0 32 61 1 0 33 62 1 0 34 63 1 0 35 64 1 0 39 65 1 0 40 66 1 0 M END