HMDB0039190 RDKit 3D 2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside 56 58 0 0 0 0 0 0 0 0999 V2000 2.3976 0.3131 -0.1765 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6755 -0.5669 0.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -1.9806 0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5427 -2.7192 -0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 -2.2821 -1.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7265 -1.1918 -1.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9186 -0.8756 -2.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0628 -1.6252 -2.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2472 -1.2853 -3.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9636 -2.7418 -1.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 -3.0729 -1.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5965 0.0069 1.0254 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4588 1.3786 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8392 1.7590 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7443 0.6709 0.4202 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2645 0.1844 -0.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9434 0.6996 -1.8418 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2091 -0.9486 -0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5688 -1.5209 0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4557 -2.5868 0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8649 -3.2138 1.6323 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9761 -3.0700 -0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8771 -4.1487 -0.7387 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6267 -2.5086 -1.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1605 -3.0101 -3.1117 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 -1.4376 -1.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4464 2.7963 1.1083 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4961 3.8060 1.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1604 5.1512 1.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9305 5.3709 0.2757 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3519 3.4225 2.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1126 3.9839 3.6124 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4575 1.8936 2.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5701 1.3904 3.3077 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8988 -2.5415 0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4256 -3.8565 -0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8301 -0.6165 -2.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9126 0.0281 -3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9369 -0.6702 -2.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8720 -3.3481 -1.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7763 -3.9696 -0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2595 1.9211 0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6301 2.1325 -0.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1671 -1.1503 1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 -2.9687 2.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1544 -4.5839 0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9002 -2.5943 -3.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4446 -0.9832 -2.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1063 3.8294 0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3763 5.9345 1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7731 5.2201 2.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8859 5.4634 0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3655 3.8317 2.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6026 4.3869 4.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4685 1.7020 2.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1118 0.7924 2.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 2 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 2 0 14 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 28 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 11 5 1 0 33 13 1 0 26 18 1 0 3 35 1 0 4 36 1 0 6 37 1 0 7 38 1 0 9 39 1 0 10 40 1 0 11 41 1 0 13 42 1 0 14 43 1 0 19 44 1 0 21 45 1 0 23 46 1 0 25 47 1 0 26 48 1 0 28 49 1 0 29 50 1 0 29 51 1 0 30 52 1 0 31 53 1 0 32 54 1 0 33 55 1 0 34 56 1 0 M END