HMDB0041675 RDKit 3D 4'-Methyl-(-)-epigallocatechin 3'-glucuronide 59 62 0 0 0 0 0 0 0 0999 V2000 -2.7890 -1.4704 -2.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2322 -0.1580 -2.5567 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9423 -0.1243 -1.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1141 -0.2226 -2.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1534 -0.3410 -4.2621 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -0.1982 -2.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6646 -0.0807 -1.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 -0.0655 -0.6332 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3287 0.9617 0.3291 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6363 1.0578 0.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1438 2.2396 1.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4390 2.3424 1.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9317 3.5213 2.2839 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2673 1.2457 1.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8071 0.0394 1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6769 -1.0428 1.1501 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4898 -0.0227 0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 -1.3234 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 -1.3494 0.0217 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9295 -1.4281 1.2993 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 0.0131 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7234 -0.0051 -0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6981 0.0961 0.2866 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0605 0.1634 0.2551 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4963 1.2558 1.0196 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8180 1.5635 0.7822 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3795 2.2568 1.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6808 2.4851 3.0136 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6995 2.6856 2.0275 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6542 0.4331 0.3103 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8624 0.5112 -1.0863 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1919 -0.9205 0.7120 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9477 -1.4070 1.8036 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -1.0426 0.9550 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1741 -2.2333 0.5199 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7388 -1.7390 -3.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8551 -1.3941 -2.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 -2.1965 -2.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 -0.4090 -4.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -0.2762 -3.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7624 0.1177 -1.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4528 3.0869 1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3679 4.1741 1.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 1.2817 2.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3504 -1.9189 0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4570 -1.4520 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3439 -2.1264 0.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2003 -2.1757 -0.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1789 -2.0858 1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8275 0.1065 0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 0.2423 -0.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8180 2.3505 -0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4763 2.0255 2.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6872 0.5748 0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0839 -0.4334 -1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4406 -1.6235 -0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7232 -1.9453 1.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5269 -0.9484 2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6912 -2.6716 -0.2050 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 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 7 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 26 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 22 3 1 0 34 24 1 0 19 8 1 0 17 10 1 0 1 36 1 0 1 37 1 0 1 38 1 0 5 39 1 0 6 40 1 0 8 41 1 6 11 42 1 0 13 43 1 0 14 44 1 0 16 45 1 0 18 46 1 0 18 47 1 0 19 48 1 6 20 49 1 0 21 50 1 0 24 51 1 6 26 52 1 6 29 53 1 0 30 54 1 1 31 55 1 0 32 56 1 6 33 57 1 0 34 58 1 1 35 59 1 0 M END