HMDB0037968 RDKit 3D ent-Epicatechin(4alpha->8)catechin 68 73 0 0 0 0 0 0 0 0999 V2000 -5.6482 -1.1127 -3.3468 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3089 -0.8649 -3.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4293 -0.4382 -3.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0756 -0.1736 -3.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2334 0.2529 -4.7074 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6348 -0.3539 -2.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 -0.7794 -1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 -1.0371 -1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9387 -0.9176 -0.1797 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1561 0.2165 0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 1.1641 0.8824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1002 2.5046 0.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0278 3.3664 1.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0305 2.8786 2.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9204 3.7632 2.6227 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 1.5266 2.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0517 0.9733 3.1329 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1399 0.6878 1.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3808 0.8034 -0.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6964 1.5509 -0.5051 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1761 -0.1433 -2.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4048 -1.4500 -1.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0629 -2.5590 -2.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8432 -2.4865 -3.4995 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6398 -3.7763 -2.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 -3.9299 -1.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1442 -5.1712 -0.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8971 -2.8259 -0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3286 -1.5766 -0.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7379 -0.5326 0.1415 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0432 -0.5954 0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 0.5995 1.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 1.1812 2.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9653 2.3003 3.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 2.8562 2.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5816 3.9774 3.5799 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0619 2.2991 1.9281 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3026 2.8651 1.6968 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6597 1.1813 1.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0743 -1.8516 1.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0413 -1.8673 2.4673 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 -3.0372 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0132 -0.9962 -4.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8009 -0.3021 -4.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 0.4763 -4.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4959 -1.3713 -0.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5719 -0.1659 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3721 2.9824 0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9985 4.4323 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6511 3.4526 3.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7557 1.5046 3.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2007 -0.3562 1.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1103 1.5808 -1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7171 1.9672 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 0.4245 -2.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1025 -3.2779 -4.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3883 -4.6612 -2.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8654 -5.9430 -1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7585 -0.7388 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6286 0.7648 2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2711 2.7185 3.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9876 4.3927 4.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6213 3.6719 2.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3522 0.7569 0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0613 -1.9666 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 -1.5406 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5978 -3.9225 1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8507 -3.3511 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 2 0 10 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 2 0 31 40 1 0 40 41 1 0 40 42 1 0 8 2 1 0 18 11 1 0 29 22 1 0 39 32 1 0 21 6 1 0 42 28 1 0 1 43 1 0 3 44 1 0 5 45 1 0 8 46 1 0 10 47 1 0 12 48 1 0 13 49 1 0 15 50 1 0 17 51 1 0 18 52 1 0 19 53 1 0 20 54 1 0 21 55 1 0 24 56 1 0 25 57 1 0 27 58 1 0 31 59 1 0 33 60 1 0 34 61 1 0 36 62 1 0 38 63 1 0 39 64 1 0 40 65 1 0 41 66 1 0 42 67 1 0 42 68 1 0 M END