HMDB0302734 RDKit 3D Apigenin 7-(6''-O-acetyl)-glucoside 56 59 0 0 0 0 0 0 0 0999 V2000 8.0655 -1.3635 1.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 -0.9889 1.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7863 -1.8645 1.4292 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2382 0.2468 2.0871 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 0.6572 2.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1377 0.5663 1.0395 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8059 0.9603 1.1726 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1416 0.5609 0.0087 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7867 0.8044 0.0241 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2755 -0.0317 -0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1167 -1.3821 -0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2192 -2.2214 -0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0719 -3.5879 -0.7452 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5132 -1.7401 -0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6072 -2.5637 -0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4512 -3.7961 -0.8248 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8899 -2.0138 -0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9816 -0.6635 -0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3047 -0.0294 -0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4014 1.3469 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6093 2.0005 0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7852 1.2937 -0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0216 1.9403 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7076 -0.0508 -0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4778 -0.7188 -0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8913 0.0739 -0.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6731 -0.3894 -0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5686 0.4457 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7022 1.3818 -1.1644 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0171 0.9292 -2.2939 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1819 1.1690 -1.3180 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6421 2.0484 -2.2789 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8339 1.4698 0.0175 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1917 1.2232 0.0181 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3364 -1.3551 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7669 -0.6854 1.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2860 -2.3956 1.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 1.7489 2.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4874 0.0563 3.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1587 -0.4453 0.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -0.4982 -0.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8866 -1.7905 -0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1532 -3.9982 -0.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7359 -2.6804 -0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4646 1.8759 0.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6853 3.0589 0.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4362 1.9964 0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6410 -0.6071 -0.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4804 -1.7829 -0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7211 1.5074 0.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4738 2.4395 -0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8482 1.6748 -2.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3796 0.1116 -1.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4108 2.5729 -1.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 2.5367 0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7255 2.0675 0.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 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 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 18 26 1 0 26 27 1 0 27 28 2 0 8 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 6 1 0 28 10 1 0 27 14 1 0 25 19 1 0 1 35 1 0 1 36 1 0 1 37 1 0 5 38 1 0 5 39 1 0 6 40 1 6 8 41 1 6 11 42 1 0 13 43 1 0 17 44 1 0 20 45 1 0 21 46 1 0 23 47 1 0 24 48 1 0 25 49 1 0 28 50 1 0 29 51 1 1 30 52 1 0 31 53 1 6 32 54 1 0 33 55 1 1 34 56 1 0 M END