@MOLECULE methyl [(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2-methoxy-4-oxo-3,4-dihydro-2h-chromen-3-yl]acetate 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2268 -1.3922 0.4481 O.3 1 UNL1111111111 -0.4118 2 O 0.3811 -1.1189 -1.7558 O.3 1 UNL1111111111 -0.3532 3 O 0.7096 1.5000 -1.5282 O.3 1 UNL1111111111 -0.5176 4 O -1.9936 1.6441 -1.5973 O.2 1 UNL1111111111 -0.4882 5 O -1.2286 3.2320 1.7225 O.3 1 UNL1111111111 -0.3963 6 O -4.3551 0.4873 -1.1325 O.3 1 UNL1111111111 -0.4493 7 O -0.1718 3.7406 -0.1994 O.2 1 UNL1111111111 -0.5034 8 O -4.3776 -3.4265 1.3656 O.3 1 UNL1111111111 -0.4536 9 O 5.2974 0.3655 -1.0923 O.3 1 UNL1111111111 -0.4229 10 O 5.9495 -0.8615 1.1412 O.3 1 UNL1111111111 -0.4184 11 C -0.0150 0.8359 -0.5431 C.3 1 UNL1111111111 0.1689 12 C 0.5631 -0.6103 -0.4755 C.3 1 UNL1111111111 0.4234 13 C 0.1195 1.5582 0.8080 C.3 1 UNL1111111111 -0.4154 14 C -1.4999 0.7567 -0.9290 C.2 1 UNL1111111111 0.4797 15 C 1.9690 -0.6945 0.0338 C.ar 1 UNL1111111111 -0.1077 16 C -2.2362 -0.3545 -0.3829 C.ar 1 UNL1111111111 -0.5177 17 C -1.5646 -1.3907 0.2934 C.ar 1 UNL1111111111 0.4572 18 C 2.9578 -0.1151 -0.7730 C.ar 1 UNL1111111111 -0.2097 19 C 2.3066 -1.3195 1.2270 C.ar 1 UNL1111111111 -0.1045 20 C -3.6460 -0.4377 -0.4830 C.ar 1 UNL1111111111 0.4794 21 C -0.4098 2.9544 0.6830 C.2 1 UNL1111111111 0.6096 22 C -2.2380 -2.4470 0.8994 C.ar 1 UNL1111111111 -0.5039 23 C 0.8247 -2.4551 -1.9487 C.3 1 UNL1111111111 -0.1934 24 C -4.3622 -1.4814 0.1093 C.ar 1 UNL1111111111 -0.4434 25 C -3.6379 -2.4551 0.7953 C.ar 1 UNL1111111111 0.4405 26 C 4.2825 -0.1715 -0.3722 C.ar 1 UNL1111111111 0.1747 27 C 3.6447 -1.3909 1.6293 C.ar 1 UNL1111111111 -0.2829 28 C 4.6317 -0.8255 0.8334 C.ar 1 UNL1111111111 0.2155 29 C -1.8640 4.5091 1.6970 C.3 1 UNL1111111111 -0.1697 30 H 1.1970 1.6051 1.0974 H 1 UNL1111111111 0.2092 31 H -0.3813 0.9888 1.6205 H 1 UNL1111111111 0.2002 32 H 0.3660 2.4344 -1.6306 H 1 UNL1111111111 0.3678 33 H 2.6741 0.3814 -1.7076 H 1 UNL1111111111 0.1999 34 H 1.5376 -1.7656 1.8597 H 1 UNL1111111111 0.1696 35 H -1.6962 -3.2210 1.4203 H 1 UNL1111111111 0.1849 36 H 0.5302 -2.6485 -2.9889 H 1 UNL1111111111 0.1537 37 H 0.3133 -3.1411 -1.2673 H 1 UNL1111111111 0.1349 38 H 1.9110 -2.5242 -1.8329 H 1 UNL1111111111 0.1360 39 H -5.4448 -1.5284 0.0393 H 1 UNL1111111111 0.2067 40 H 3.9052 -1.8879 2.5590 H 1 UNL1111111111 0.1618 41 H -3.7458 1.2100 -1.5155 H 1 UNL1111111111 0.3794 42 H -3.8266 -4.0993 1.8403 H 1 UNL1111111111 0.3336 43 H 4.9476 0.8662 -1.8757 H 1 UNL1111111111 0.3229 44 H -2.5068 4.4798 2.5841 H 1 UNL1111111111 0.1478 45 H -2.4532 4.6207 0.7792 H 1 UNL1111111111 0.1477 46 H -1.1143 5.3030 1.7702 H 1 UNL1111111111 0.1404 47 H 6.1072 -1.3185 2.0071 H 1 UNL1111111111 0.3174 @BOND 1 1 12 1 2 1 17 1 3 2 12 1 4 2 23 1 5 3 11 1 6 3 32 1 7 4 14 2 8 5 21 1 9 5 29 1 10 6 20 1 11 6 41 1 12 7 21 2 13 8 25 1 14 8 42 1 15 9 26 1 16 9 43 1 17 10 28 1 18 10 47 1 19 11 12 1 20 11 13 1 21 11 14 1 22 12 15 1 23 13 21 1 24 13 30 1 25 13 31 1 26 14 16 1 27 15 18 ar 28 15 19 ar 29 16 17 ar 30 16 20 ar 31 17 22 ar 32 18 26 ar 33 18 33 1 34 19 27 ar 35 19 34 1 36 20 24 ar 37 22 25 ar 38 22 35 1 39 23 36 1 40 23 37 1 41 23 38 1 42 24 25 ar 43 24 39 1 44 26 28 ar 45 27 28 ar 46 27 40 1 47 29 44 1 48 29 45 1 49 29 46 1