HMDB0253753 RDKit 3D Kaempferol-3-glucuronide 51 54 0 0 0 0 0 0 0 0999 V2000 4.5175 -2.4342 1.6104 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4238 -2.4690 1.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6976 -3.6441 1.0083 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9687 -1.2447 0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -1.4615 -0.3158 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3805 -0.2906 -0.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0287 -0.2166 -1.2999 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9295 0.5224 -0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7503 -0.0225 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 -1.4148 0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4031 -1.7231 1.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4843 -3.0184 2.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9374 -4.0727 1.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0537 -5.3654 2.1128 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2831 -3.7765 0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1979 -2.4619 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6555 0.7806 0.8615 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7879 2.0473 0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 2.8433 1.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8530 4.1732 0.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8092 4.9874 1.5159 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0559 4.7476 -0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0861 3.9884 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 4.6108 -1.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9727 2.6681 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0387 1.8699 -1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2635 2.2921 -1.8751 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2361 -0.2775 -2.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8301 0.5659 -3.2109 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6268 0.0882 -1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 1.4558 -1.4752 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0576 -0.7371 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9098 0.0529 0.2144 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2614 -4.0105 1.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7676 -0.4888 1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7192 0.5190 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8497 -0.9375 2.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0152 -3.2070 3.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8585 -5.9122 1.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8483 -4.5917 -0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6998 -2.2989 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3717 2.4078 1.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 5.4590 2.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 5.7928 -0.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6131 4.3241 -2.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3481 -1.3423 -2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0289 0.1850 -4.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3434 -0.1086 -2.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 1.8499 -1.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6779 -1.6166 -0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4156 0.9132 0.3987 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 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 9 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 25 26 1 0 26 27 2 0 6 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 4 1 0 26 8 1 0 16 10 1 0 25 18 1 0 3 34 1 0 4 35 1 0 6 36 1 0 11 37 1 0 12 38 1 0 14 39 1 0 15 40 1 0 16 41 1 0 19 42 1 0 21 43 1 0 22 44 1 0 24 45 1 0 28 46 1 0 29 47 1 0 30 48 1 0 31 49 1 0 32 50 1 0 33 51 1 0 M END