HMDB0039327 RDKit 3D 3-(4-Hydroxybenzoyl)epicatechin 48 51 0 0 0 0 0 0 0 0999 V2000 -0.8832 -2.4142 -1.5873 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0574 -1.8448 -0.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0129 -0.4836 -0.8554 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0332 0.3182 -1.4266 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5403 1.2281 -2.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2191 2.5923 -2.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5677 3.3533 -2.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0173 2.8527 -4.1301 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 4.6355 -2.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4457 5.1573 -1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 6.4453 -0.9228 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3337 4.3871 -0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6543 3.1015 -0.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4202 2.3060 -0.0753 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8401 0.9942 -0.3547 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7940 0.2371 0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7206 0.3213 1.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6765 -0.3779 2.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7022 -1.2001 3.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6402 -1.8891 4.5499 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7805 -1.3017 2.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8235 -2.1316 2.8902 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8347 -0.6065 1.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1085 -2.6557 -0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1342 -2.0717 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1568 -2.8102 0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1348 -4.1701 0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 -4.9016 1.3857 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 -4.7808 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 -4.0239 -0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7122 -0.4098 -1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3954 0.7860 -2.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2386 1.3152 -3.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 3.4439 -4.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 5.2826 -3.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 6.5448 -0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7109 4.7275 0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 1.0711 -0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0975 0.9669 1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -0.2727 3.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8497 -1.8038 5.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6577 -2.2621 2.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6772 -0.6914 0.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1274 -0.9937 0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9622 -2.3464 1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0600 -5.2147 2.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1412 -5.8520 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3423 -4.5576 -1.0125 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 19 20 1 0 19 21 1 0 21 22 1 0 21 23 2 0 2 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 2 0 15 4 1 0 23 16 1 0 30 24 1 0 13 6 1 0 4 31 1 6 5 32 1 0 5 33 1 0 8 34 1 0 9 35 1 0 11 36 1 0 12 37 1 0 15 38 1 6 17 39 1 0 18 40 1 0 20 41 1 0 22 42 1 0 23 43 1 0 25 44 1 0 26 45 1 0 28 46 1 0 29 47 1 0 30 48 1 0 M END