HMDB0037537 RDKit 3D Quercetin 3-glucosyl-(1->2)-galactoside 74 78 0 0 0 0 0 0 0 0999 V2000 0.3116 -1.0405 -2.2315 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4029 -1.1001 -1.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5421 -0.6404 -0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3909 -0.1076 0.2823 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0708 1.2183 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6419 2.1442 0.9111 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5985 3.3805 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6056 4.3239 0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5388 5.5186 0.1192 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8064 3.8626 0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9978 5.1393 -0.1856 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6893 2.9039 -0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0012 3.2844 -0.1438 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4145 1.4651 -0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9091 0.5513 -0.9855 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8104 -0.3469 -0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2659 -1.6242 -0.6244 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1081 -2.6157 -0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2249 -2.6741 1.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1143 -3.7323 1.6162 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 -2.5961 -0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4914 -3.2323 -2.0117 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1004 -1.2453 -0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6802 -0.8131 0.3208 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0552 -0.2685 -1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5428 0.9996 -1.5262 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7458 -0.7107 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0062 -0.2750 1.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3267 -0.1469 2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6394 0.1973 3.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6365 0.4323 4.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9471 0.7759 5.6047 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3493 0.3128 3.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3108 0.5428 4.8123 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0447 -0.0388 2.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 -1.2295 -0.3965 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6691 -1.6617 -1.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8054 -2.1852 -2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 -2.6502 -3.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9129 -3.1565 -4.0894 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5755 -2.6242 -4.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4391 -2.0948 -3.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3088 -2.0822 -4.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4892 -1.6246 -2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5416 1.4971 -0.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9082 3.1527 -0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5081 4.4406 1.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6182 3.8952 0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3874 6.0216 0.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1451 3.8026 1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9737 5.3030 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4748 3.0991 -1.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1674 2.8831 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8432 1.3339 0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0638 -0.2342 0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6311 -3.5917 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2755 -2.8987 1.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6843 -1.7712 1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6783 -3.5267 2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1337 -3.2196 -0.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4195 -4.2052 -1.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9034 -1.2708 -1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4006 -0.1552 0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7419 -0.6378 -2.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4474 1.1620 -1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 -0.3276 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 0.3013 3.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8925 0.8755 5.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5036 0.7957 5.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0024 -0.1194 2.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 -2.1951 -1.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0796 -4.1452 -3.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5409 -2.9925 -5.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 -1.8076 -4.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 3 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 2 0 27 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 2 0 41 42 1 0 42 43 1 0 42 44 2 0 44 2 1 0 14 5 1 0 25 16 1 0 35 28 1 0 44 37 1 0 5 45 1 0 7 46 1 0 8 47 1 0 8 48 1 0 9 49 1 0 10 50 1 0 11 51 1 0 12 52 1 0 13 53 1 0 14 54 1 0 16 55 1 0 18 56 1 0 19 57 1 0 19 58 1 0 20 59 1 0 21 60 1 0 22 61 1 0 23 62 1 0 24 63 1 0 25 64 1 0 26 65 1 0 29 66 1 0 30 67 1 0 32 68 1 0 34 69 1 0 35 70 1 0 38 71 1 0 40 72 1 0 41 73 1 0 43 74 1 0 M END