HMDB0033288 RDKit 3D Epitheaflagallin 3-O-gallate 60 64 0 0 0 0 0 0 0 0999 V2000 2.1822 0.0435 1.9599 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5556 -0.3141 0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0317 0.3603 -0.2846 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 1.3876 -0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7761 2.7470 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9096 3.7779 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3627 4.9935 0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 5.2967 0.5023 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5202 5.9163 1.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8114 5.6376 1.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6617 6.5879 1.9157 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3157 4.4338 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4456 3.5142 0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0026 2.3180 -0.1204 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1581 1.3580 -0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9118 0.1272 -0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3619 -1.1146 -0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8788 -2.2712 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -3.2033 0.1675 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2189 -2.5472 0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5244 -3.6390 0.8932 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3174 -1.8310 -0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4804 -2.5721 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3731 -3.8257 0.2902 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6603 -2.0310 -0.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8428 -2.7171 -0.5589 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 -0.7424 -1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9432 -0.2229 -1.6159 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5473 -0.0237 -1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3499 -0.5644 -0.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 0.3113 -1.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5128 -1.4060 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9521 -1.8330 -0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 -2.8623 -0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2951 -3.2891 -1.9676 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3378 -3.4894 0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2583 -4.5404 0.2565 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9070 -3.0728 1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4076 -3.7218 2.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0037 -2.0425 1.7895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9323 1.5162 1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8145 2.7869 -0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 2.8656 -1.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4082 4.7250 0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9051 6.8449 1.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8234 6.5865 2.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3832 4.2094 0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0261 1.8223 -1.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6358 -1.2169 -1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7444 -4.1797 1.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1889 -4.3977 0.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9587 -3.6388 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7760 -0.7855 -1.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5954 0.9644 -1.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5988 1.2615 -1.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5919 -1.3604 -1.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9847 -2.8761 -2.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5655 -4.8363 -0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1204 -3.4507 3.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7146 -1.7742 2.7973 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 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 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 25 27 1 0 27 28 1 0 27 29 2 0 29 30 1 0 30 31 2 0 2 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 34 36 2 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 2 0 15 4 1 0 31 16 1 0 40 32 1 0 13 6 1 0 30 22 1 0 4 41 1 0 5 42 1 0 5 43 1 0 8 44 1 0 9 45 1 0 11 46 1 0 12 47 1 0 15 48 1 0 17 49 1 0 21 50 1 0 24 51 1 0 26 52 1 0 28 53 1 0 29 54 1 0 31 55 1 0 33 56 1 0 35 57 1 0 37 58 1 0 39 59 1 0 40 60 1 0 M END