Mrv0541 11261309042D 42 46 0 0 0 0 999 V2000 5.2491 -1.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2491 -2.7938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9653 -3.2063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6773 -2.7938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6773 -1.9688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9653 -1.5562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3922 -1.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1063 -1.9698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1024 -2.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -3.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5314 -2.7948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5320 -1.9698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8179 -1.5567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5348 -3.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5352 -4.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 -4.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3509 -3.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 -0.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8172 -0.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2468 -1.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2457 -3.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -0.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1162 -0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1162 0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8282 0.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8246 -0.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5373 -0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 -0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2571 0.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5444 0.9248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9734 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6839 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4002 0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4038 1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6910 2.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9748 1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1199 2.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5338 -1.5501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1181 -1.5471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6857 0.9283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1129 0.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 11 21 1 6 0 0 0 6 1 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 27 2 0 0 0 0 26 25 2 0 0 0 0 25 22 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 8 1 0 0 0 0 2 14 1 1 0 0 0 5 7 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 14 15 1 0 0 0 0 30 32 1 0 0 0 0 1 2 1 0 0 0 0 3 16 1 6 0 0 0 8 7 1 1 0 0 0 4 17 1 1 0 0 0 2 3 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 32 1 0 0 0 0 6 18 1 1 0 0 0 35 38 1 0 0 0 0 29 18 1 0 0 0 0 3 4 1 0 0 0 0 28 39 2 0 0 0 0 13 19 1 6 0 0 0 24 40 1 0 0 0 0 4 5 1 0 0 0 0 22 41 1 0 0 0 0 12 20 1 1 0 0 0 34 42 1 0 0 0 0 M END > CHEBI:32081 > quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside] > A quercetin O-glucoside that is quercetin attached to a β-D-sambubiosyl residue at position 3 via a glycosidc linkage. > 3 > quercetin 3-sambubioside; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-4H-1-benzopyran-4-one > 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside > C26H28O16 > 596.49090 > 596.13773 > 0 > OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O > InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1 > NKFZLEYLWAFYEH-CJNLAGEVSA-N > 83048-35-5 > 4344863 > 83048-35-5 > C12637 > LMPK12112090 > 10230515; 15598565 $$$$