HMDB0037663 RDKit 3D Epicatechin 3-O-gallate-(4beta->6)-epicatechin 3-O-gallate-(4beta->6)-epicate... 146157 0 0 0 0 0 0 0 0999 V2000 -1.4837 -4.1612 -3.5191 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7103 -3.1722 -3.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 -2.5120 -2.2711 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2561 -2.0603 -1.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5332 -2.5501 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 -2.2018 1.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7111 -1.2489 1.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4593 -0.7604 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4469 0.1670 0.7497 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3017 -1.1181 -0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1423 -0.6724 -1.9485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5727 -1.0941 -1.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1576 -1.9481 -1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3497 -2.5899 -0.1142 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5178 -2.1691 -1.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3217 -1.5464 -1.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7166 -1.7401 -2.0501 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7648 -0.6669 -2.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4113 -0.4633 -2.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8624 0.4077 -3.7598 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 1.1443 -3.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6856 0.9613 -4.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8899 2.0288 -4.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9487 1.8582 -6.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8143 0.6510 -6.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1265 0.4667 -7.6422 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 -0.4196 -6.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4929 -1.6737 -6.8469 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -0.2160 -5.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2187 0.8377 -2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0819 1.5061 -1.7759 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6849 -0.6804 2.8961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 0.6138 2.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8353 1.2769 4.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6253 0.7796 5.2027 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0501 2.3675 4.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7384 2.8910 3.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6755 2.2219 1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1272 1.0818 1.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1276 0.4643 0.6837 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2934 2.8358 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 4.3240 1.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2927 5.0566 -0.0766 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3056 6.0132 -0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3877 6.2218 0.8147 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0713 6.7837 -1.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9482 7.8376 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5704 8.4624 -2.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4561 9.5399 -2.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3428 8.0633 -3.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9826 8.6758 -4.6275 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4485 6.9931 -3.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2105 6.5920 -5.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1834 6.3599 -2.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2932 4.5749 2.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6615 4.0748 2.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7086 4.9999 2.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0044 4.6321 2.7256 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3558 3.3346 2.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 2.9265 2.5822 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4251 2.3964 2.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7199 1.0661 1.9532 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0711 2.8069 2.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5352 3.9806 3.3662 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1913 -1.5599 3.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0896 -1.1466 4.5465 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3336 -1.3605 5.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5365 -1.9010 6.6083 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6051 -0.9563 6.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8781 -1.1231 7.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0742 -0.6947 8.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3032 -0.8945 9.6785 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9971 -0.0746 7.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2248 0.3686 8.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7233 0.1062 6.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 0.7519 5.4499 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5312 -0.3162 5.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7553 -2.9493 3.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8912 -3.8235 3.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6552 -5.0390 2.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6965 -5.8970 2.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9852 -5.6251 2.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0055 -6.5258 2.2851 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2545 -4.4200 3.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5481 -4.1253 3.5887 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1992 -3.5558 3.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0086 -2.7255 2.2679 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3428 -2.8518 -4.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9236 -1.5893 -4.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0918 -1.3296 -5.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6297 -0.1133 -5.0431 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6456 -2.3136 -5.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8007 -2.1327 -6.6147 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0714 -3.5915 -5.8682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6689 -4.5505 -6.6353 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9139 -3.7868 -5.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2612 -3.3046 -0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6891 0.5426 1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7411 -1.0897 -2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7441 -3.2437 0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9948 -2.8768 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1572 -2.3690 -1.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4297 -0.1906 -3.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0346 2.2233 -3.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 2.9912 -4.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3551 2.6872 -6.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7391 1.2193 -7.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7843 -1.7797 -7.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 -1.0980 -5.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 1.2024 -1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1339 1.8655 -0.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7058 -0.3420 3.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6823 1.2174 6.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0358 2.8877 5.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4429 0.7440 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4802 2.8231 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 2.3782 0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3342 4.5162 1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1783 8.2550 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8808 9.9295 -2.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8933 8.3876 -5.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5918 6.9972 -5.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8555 5.5334 -2.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3225 5.6885 2.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4124 6.0434 2.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 5.3144 2.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9382 1.9203 2.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5720 0.6017 1.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 2.0027 1.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 -1.7961 4.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1634 -1.6202 8.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1879 -0.4813 10.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8452 0.8392 7.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5308 0.8723 4.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3613 -0.1563 4.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0744 -3.4568 4.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6675 -5.3303 2.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5159 -6.8489 1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9547 -6.3897 2.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3677 -4.6636 3.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4316 -2.6390 4.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -0.8111 -3.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 0.3137 -5.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 -1.2458 -6.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -4.4092 -7.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4941 -4.7883 -5.1671 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 2 0 21 30 1 0 30 31 1 0 7 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 34 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 38 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 48 50 2 0 50 51 1 0 50 52 1 0 52 53 1 0 52 54 2 0 42 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 2 0 59 60 1 0 59 61 1 0 61 62 1 0 61 63 2 0 55 64 1 0 32 65 1 0 65 66 1 0 66 67 1 0 67 68 2 0 67 69 1 0 69 70 2 0 70 71 1 0 71 72 1 0 71 73 2 0 73 74 1 0 73 75 1 0 75 76 1 0 75 77 2 0 65 78 1 0 78 79 1 0 79 80 2 0 80 81 1 0 81 82 2 0 82 83 1 0 82 84 1 0 84 85 1 0 84 86 2 0 78 87 1 0 2 88 1 0 88 89 2 0 89 90 1 0 90 91 1 0 90 92 2 0 92 93 1 0 92 94 1 0 94 95 1 0 94 96 2 0 10 4 1 0 30 11 1 0 39 33 1 0 54 46 1 0 63 56 1 0 77 69 1 0 86 79 1 0 96 88 1 0 87 6 1 0 19 12 1 0 29 22 1 0 64 37 1 0 5 97 1 0 9 98 1 0 11 99 1 0 14100 1 0 15101 1 0 17102 1 0 18103 1 0 21104 1 0 23105 1 0 24106 1 0 26107 1 0 28108 1 0 29109 1 0 30110 1 0 31111 1 0 32112 1 0 35113 1 0 36114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 47119 1 0 49120 1 0 51121 1 0 53122 1 0 54123 1 0 55124 1 0 57125 1 0 58126 1 0 60127 1 0 62128 1 0 63129 1 0 65130 1 0 70131 1 0 72132 1 0 74133 1 0 76134 1 0 77135 1 0 78136 1 0 80137 1 0 81138 1 0 83139 1 0 85140 1 0 86141 1 0 89142 1 0 91143 1 0 93144 1 0 95145 1 0 96146 1 0 M END