HMDB0240467 RDKit 3D 4'-Methylepicatechin 5-glucuronide 58 61 0 0 0 0 0 0 0 0999 V2000 8.1297 -2.2386 1.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8654 -2.8546 1.6176 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7106 -2.1670 1.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 -0.8320 0.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6234 -0.1351 0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4023 -0.7672 0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1995 -0.0320 0.2062 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4063 0.7809 -0.9601 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 1.5639 -1.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 2.7150 -2.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5061 3.4976 -2.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7933 4.6245 -3.2629 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7743 3.1560 -2.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 2.0063 -1.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3016 1.7672 -1.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2065 1.0097 -0.4699 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1562 0.4010 -1.3168 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8551 -0.5797 -0.6628 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2340 -0.7499 -1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6983 -0.0848 -2.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0316 -1.7191 -0.6168 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8874 -0.4796 0.8152 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9787 -1.3790 1.4266 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7627 0.8951 1.3827 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0097 1.3899 1.8312 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1093 1.8775 0.4442 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3620 2.8379 1.0998 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 1.2370 -0.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2249 0.0216 -0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0055 -0.8713 -0.1029 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2152 -1.4480 -1.3624 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3531 -2.0987 0.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5012 -2.8074 1.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4314 -4.1545 1.5763 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8485 -2.9730 2.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3955 -1.9696 0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1097 -1.2924 2.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7394 -0.3239 0.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7463 0.9093 0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8776 0.6929 1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5769 2.9709 -2.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0747 5.2391 -3.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5757 3.8048 -2.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8334 0.2000 0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3345 -1.5531 -0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8377 -2.7096 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8927 -0.8711 1.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7321 -2.0725 0.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1127 0.8893 2.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0420 1.5410 2.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9130 2.3312 -0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9781 2.5150 1.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9247 -0.6067 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 0.1864 0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7551 -1.6303 0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -2.2930 -1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4468 -2.6875 0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2551 -4.6800 1.8320 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 18 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 14 28 2 0 28 29 1 0 29 30 1 0 30 31 1 0 6 32 1 0 32 33 2 0 33 34 1 0 33 3 1 0 30 7 1 0 28 9 1 0 26 16 1 0 1 35 1 0 1 36 1 0 1 37 1 0 4 38 1 0 5 39 1 0 7 40 1 1 10 41 1 0 12 42 1 0 13 43 1 0 16 44 1 1 18 45 1 1 21 46 1 0 22 47 1 1 23 48 1 0 24 49 1 1 25 50 1 0 26 51 1 6 27 52 1 0 29 53 1 0 29 54 1 0 30 55 1 1 31 56 1 0 32 57 1 0 34 58 1 0 M END