HMDB0040470 RDKit 3D 5-Methyleriodictyol 7-[glucosyl-(1->4)-galactoside] 78 82 0 0 0 0 0 0 0 0999 V2000 0.8662 3.4513 -0.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1163 3.1320 -1.3419 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3934 1.7910 -1.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4887 0.7921 -1.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7649 -0.5321 -1.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 -1.5742 -1.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3544 -1.5478 -0.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3954 -1.9634 0.6155 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5413 -1.5316 1.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4399 -0.0751 1.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 0.1225 2.4213 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8263 -1.8889 0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7691 -0.8551 0.7394 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8738 -1.2545 1.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 -0.5034 2.6064 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4350 0.7584 2.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6121 0.9975 3.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2010 0.8323 4.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7615 1.2568 1.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7078 2.0728 0.6461 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2158 0.2733 0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3215 0.3202 -0.9703 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1672 -1.1253 0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2456 -2.0805 -0.3391 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 -2.0736 -0.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5425 -3.1414 -1.3591 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3487 -2.3457 -1.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0845 -3.7088 -1.4914 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0067 -0.8153 -2.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9062 0.1582 -2.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6195 1.4957 -2.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 2.5565 -2.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2514 3.7343 -2.1676 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8725 2.2252 -3.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 0.8258 -2.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6935 0.6883 -1.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 1.7387 -0.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3368 1.5473 0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5971 0.3039 1.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0412 0.0246 2.5122 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4076 -0.7923 0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6640 -2.0990 0.8556 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9654 -0.5940 -0.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 -0.0909 -2.9911 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0699 2.9846 -1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7604 3.0115 0.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6846 4.5383 -0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 1.0873 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6729 -0.4885 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5777 -2.0588 2.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4667 0.6244 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3203 0.2208 2.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4624 0.9798 2.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -2.8189 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7955 -2.3360 1.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6219 1.4355 2.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9884 2.0337 3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4057 0.2237 3.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8982 1.1433 5.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6092 2.0033 1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3276 2.4958 1.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2077 0.5161 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6571 0.8343 -1.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0071 -1.3257 1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9426 -2.9705 -0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1005 -1.1749 -1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1364 -3.6374 -2.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3086 -2.0259 -2.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1322 -3.9319 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2402 -1.8383 -2.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7207 2.3510 -4.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6566 2.9196 -2.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0464 0.4888 -3.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6945 2.7652 -0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4829 2.4068 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2343 0.6578 3.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9880 -2.1955 1.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8068 -1.4252 -1.5725 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 9 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 12 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 5 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 39 41 1 0 41 42 1 0 41 43 2 0 35 44 1 0 31 3 1 0 43 36 1 0 27 7 1 0 44 30 1 0 23 14 1 0 1 45 1 0 1 46 1 0 1 47 1 0 4 48 1 0 7 49 1 0 9 50 1 0 10 51 1 0 10 52 1 0 11 53 1 0 12 54 1 0 14 55 1 0 16 56 1 0 17 57 1 0 17 58 1 0 18 59 1 0 19 60 1 0 20 61 1 0 21 62 1 0 22 63 1 0 23 64 1 0 24 65 1 0 25 66 1 0 26 67 1 0 27 68 1 0 28 69 1 0 29 70 1 0 34 71 1 0 34 72 1 0 35 73 1 0 37 74 1 0 38 75 1 0 40 76 1 0 42 77 1 0 43 78 1 0 M END