HMDB0037938 RDKit 3D Quercetin 3-[p-coumaroyl-(->6)-glucosyl-(1->2)-glucosyl-(1->2)-glucoside] 112118 0 0 0 0 0 0 0 0999 V2000 5.4515 -4.0531 0.3266 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2473 -2.9753 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3992 -2.1563 -0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4089 -1.0287 -1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5613 -0.1973 -1.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8195 -0.5007 -1.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9415 0.3021 -1.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7807 1.4419 -2.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8972 2.2492 -2.4254 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5210 1.7582 -2.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4260 0.9572 -2.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9448 -2.6942 -0.6964 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9645 -3.6168 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5433 -3.1803 -0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3554 -1.9430 -0.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6156 -1.6610 0.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2289 -0.5484 1.5179 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4123 0.4670 1.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5278 1.6528 0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0252 1.2743 -0.2907 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1521 2.0101 -0.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 1.2072 -0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5102 1.8911 -0.1966 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3889 1.1821 0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5538 0.6582 0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0237 0.8075 -1.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5430 1.6876 -2.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0526 1.6992 -3.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0456 0.8473 -3.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5323 0.8847 -5.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5386 -0.0507 -2.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5418 -0.9326 -3.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0427 -0.0697 -1.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3300 -0.0362 1.0029 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0376 -0.2400 2.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9177 -0.9805 3.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5940 -1.1905 4.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4890 -1.9350 5.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4437 -0.6868 4.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5443 0.0659 4.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4167 0.5390 4.6647 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8543 0.2835 2.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0187 0.9973 1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 1.5033 2.3294 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5976 0.7945 -2.0732 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 0.6684 -2.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 0.0391 -4.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4992 -0.0872 -4.8764 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6809 1.9365 -3.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6721 1.5985 -3.1268 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8481 2.8416 -1.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3609 3.5361 -1.5832 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 2.1209 0.8844 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 2.8004 2.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 3.6476 2.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1317 4.5852 1.0289 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0597 1.7779 3.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2419 2.3845 4.4522 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7301 1.0140 3.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2015 1.9578 3.6753 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 -2.7607 1.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -2.6188 2.7821 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -4.1408 1.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4581 -4.9944 1.9966 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5661 -4.1987 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0456 -5.4572 -0.4289 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 -2.4968 -0.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4173 -0.7010 -1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9919 -1.4032 -0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9279 0.0272 -1.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4285 2.0541 -3.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4442 2.6689 -3.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4471 1.2039 -2.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0263 -3.7782 0.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1608 -4.6287 -0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4695 -3.2722 -1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4756 -1.4600 0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6283 0.1882 1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0986 2.4686 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3298 2.7600 0.2225 H 0 0 0 0 0 0 0 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2.9941 1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2085 4.7712 0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9035 1.1148 3.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6345 3.1725 4.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7814 0.2261 4.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2321 2.0961 4.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2639 -2.5873 2.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3949 -2.0419 2.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4924 -4.5958 1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4313 -5.8492 1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 -4.0944 -0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2391 -5.5103 -1.4076 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 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 2 0 25 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 2 0 39 40 1 0 40 41 1 0 40 42 2 0 42 43 1 0 43 44 2 0 22 45 1 0 45 46 1 0 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