HMDB0039182 RDKit 3D 1,2,6-Trigalloyl-beta-D-glucopyranose 69 72 0 0 0 0 0 0 0 0999 V2000 4.5965 -1.2609 1.7771 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9829 -1.2398 0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3764 -0.5025 -0.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 0.3241 -0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9367 -0.2098 -0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9622 0.7851 -0.3278 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0143 0.8228 0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 1.8628 0.3594 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 2.9961 1.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3495 3.1264 2.1334 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0603 4.0296 0.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 5.1569 1.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1274 6.1490 1.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2177 7.2593 2.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9149 5.9659 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8378 6.9281 -0.2373 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7921 4.8443 -0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6071 4.7098 -1.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8573 3.8922 -0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6655 -0.4600 0.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8074 -0.7400 0.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0571 -0.9765 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0876 -0.9220 1.9747 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 -1.2647 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4437 -1.4867 0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6014 -1.7630 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7896 -1.9803 0.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6021 -1.8290 -1.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7883 -2.1119 -2.2253 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4076 -1.6093 -2.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3872 -1.6715 -3.5617 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2395 -1.3298 -1.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2602 -1.6428 0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0232 -2.6536 1.6755 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7232 -1.1391 0.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -0.6041 2.1608 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1579 -2.0842 0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6347 -2.1051 -0.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7180 -2.8516 -1.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2172 -2.8863 -2.6774 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3515 -3.6204 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4592 -4.4039 -0.7638 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8967 -3.6208 0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 -4.3853 1.8298 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7936 -2.8502 1.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4139 0.9971 -1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4229 1.0986 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7674 -0.8131 -1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 1.1959 1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5839 5.2796 2.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9099 7.9748 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4127 6.8095 -1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5175 3.8893 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 3.0092 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9372 -0.4646 2.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4741 -1.4404 1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6374 -2.1805 0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7761 -2.1571 -3.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5058 -1.5087 -4.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3055 -1.1588 -1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -2.0089 -0.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9004 -2.6083 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3065 -2.0654 0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2015 -1.0423 2.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 -1.5053 -1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7664 -2.3312 -3.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7852 -4.3903 -1.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1900 -4.3914 2.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4192 -2.8353 2.2321 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 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 2 0 7 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 26 28 2 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 2 0 20 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 2 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 2 0 41 42 1 0 41 43 1 0 43 44 1 0 43 45 2 0 35 5 1 0 45 37 1 0 19 11 1 0 32 24 1 0 4 46 1 0 4 47 1 0 5 48 1 0 7 49 1 0 12 50 1 0 14 51 1 0 16 52 1 0 18 53 1 0 19 54 1 0 20 55 1 0 25 56 1 0 27 57 1 0 29 58 1 0 31 59 1 0 32 60 1 0 33 61 1 0 34 62 1 0 35 63 1 0 36 64 1 0 38 65 1 0 40 66 1 0 42 67 1 0 44 68 1 0 45 69 1 0 M END