HMDB0039328 RDKit 3D Epicatechin 3-O-(4-methylgallate) 53 56 0 0 0 0 0 0 0 0999 V2000 7.0070 -0.8164 0.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9775 -1.7156 0.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7389 -1.2292 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7192 -0.9722 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9368 -1.2053 2.2496 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4845 -0.4832 0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2899 -0.2579 -0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9999 0.2586 -1.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8387 0.4584 -2.6224 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0513 0.5328 -0.5592 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3163 1.0103 -0.8851 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4829 2.4673 -0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 2.4854 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8564 3.7151 1.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4346 4.8375 0.9828 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 3.8459 2.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6478 2.7749 3.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0161 2.9207 5.0523 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6965 1.5506 3.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3259 1.4091 1.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3841 0.1553 1.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 0.2329 -0.3464 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7000 -1.0651 -0.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5544 -1.9630 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8085 -3.2083 -0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2301 -3.6158 -2.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4882 -4.8700 -2.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3973 -2.7391 -2.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -3.1193 -3.8423 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1497 -1.4809 -2.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3314 -0.5264 -1.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5537 -1.0066 -1.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5707 -1.2599 -2.2425 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6980 0.2467 0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3442 -0.9770 1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9206 -0.9822 0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8265 -1.5571 2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6967 -0.2880 1.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3979 1.0837 -1.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2994 2.9317 -0.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5688 3.0554 -0.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4062 5.7191 1.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1721 4.8191 3.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0052 3.1390 5.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0308 0.6894 3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3882 0.8589 -0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0389 -1.7201 0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4642 -3.9298 -0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1127 -5.4748 -2.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1945 -2.4610 -4.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4914 -0.8386 -2.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2008 -0.3552 -2.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 -1.0797 -3.2193 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 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 2 0 7 31 1 0 31 32 2 0 32 33 1 0 32 3 1 0 22 11 1 0 30 23 1 0 20 13 1 0 1 34 1 0 1 35 1 0 1 36 1 0 5 37 1 0 6 38 1 0 11 39 1 6 12 40 1 0 12 41 1 0 15 42 1 0 16 43 1 0 18 44 1 0 19 45 1 0 22 46 1 1 24 47 1 0 25 48 1 0 27 49 1 0 29 50 1 0 30 51 1 0 31 52 1 0 33 53 1 0 M END