HMDB0029271 RDKit 3D Quercetin 3-O-(6''-acetyl-glucoside) 58 61 0 0 0 0 0 0 0 0999 V2000 6.2930 1.3850 -2.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0713 1.7296 -1.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0606 2.6487 -0.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9456 1.0031 -1.6974 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7014 1.1478 -1.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8312 0.8833 0.3926 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6616 0.9920 1.0601 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7681 -0.0716 0.9956 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1465 -0.0306 -0.2627 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1385 0.4362 -0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1882 -0.3981 -0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1499 -1.8123 -0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0815 -2.6242 -0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1429 -3.9921 -0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 -4.6309 -0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3495 -5.9915 -0.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4255 -3.8428 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6351 -4.4733 0.4016 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3434 -2.4827 -0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3964 0.1914 -0.6024 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5694 1.4753 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8748 1.9415 -0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0613 3.3027 -0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3508 3.8128 -1.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0371 4.1912 -0.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7007 3.7354 -0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7124 4.6260 -0.6546 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5487 2.3865 -0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2684 1.8387 -0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2382 2.5399 -0.4317 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4009 -1.3534 1.3196 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7315 -1.9949 2.3436 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8547 -1.0843 1.8073 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4941 -2.2547 2.1034 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4832 -0.4441 0.5965 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8656 -0.3710 0.6882 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1120 1.3302 -3.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6391 0.3975 -1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0755 2.1384 -2.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9535 0.4865 -1.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3545 2.1928 -1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5515 1.6906 0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0335 0.1819 1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1598 -2.1829 -0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2457 -4.5597 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1356 -6.5479 0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4448 -3.8676 0.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2589 -1.9174 0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6738 1.2387 -0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8457 4.0213 -0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 5.2673 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7479 4.6268 -0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5489 -2.0256 0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2203 -1.3000 2.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8523 -0.3330 2.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1922 -2.0512 2.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2414 -1.1101 -0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 -0.0912 1.5695 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 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 2 0 11 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 25 26 1 0 26 27 1 0 26 28 2 0 28 29 1 0 29 30 2 0 8 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 6 1 0 29 10 1 0 19 12 1 0 28 21 1 0 1 37 1 0 1 38 1 0 1 39 1 0 5 40 1 0 5 41 1 0 6 42 1 1 8 43 1 1 13 44 1 0 14 45 1 0 16 46 1 0 18 47 1 0 19 48 1 0 22 49 1 0 24 50 1 0 25 51 1 0 27 52 1 0 31 53 1 6 32 54 1 0 33 55 1 1 34 56 1 0 35 57 1 6 36 58 1 0 M END