Mrv0541 03091509352D 42 46 0 0 0 0 999 V2000 3.3157 -0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3145 -1.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0293 -1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0275 -0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7429 -0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7463 -1.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4655 -1.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1858 -1.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1824 -0.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4587 -0.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4678 -2.5040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9014 -1.6724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8956 -0.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6105 -0.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3232 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3211 0.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 1.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8906 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5949 2.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0338 1.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0279 -2.5035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6012 -0.0260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9036 -2.4973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1873 -2.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1876 -3.7284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9014 -4.1428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6165 -3.7296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6179 -2.9021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3307 -4.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9005 -4.9677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4728 -4.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7588 -3.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3311 -2.4872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3299 -3.7269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3299 -2.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6154 -4.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6154 -2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -3.7269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -2.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0444 -4.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0444 -4.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1866 -2.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15 16 2 0 0 0 0 4 1 1 0 0 0 0 16 17 1 0 0 0 0 5 10 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 6 7 1 0 0 0 0 17 19 1 0 0 0 0 7 8 1 0 0 0 0 16 20 1 0 0 0 0 8 9 2 0 0 0 0 3 21 1 0 0 0 0 9 10 1 0 0 0 0 1 22 1 0 0 0 0 5 6 1 0 0 0 0 23 12 1 1 0 0 0 23 24 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 2 3 1 0 0 0 0 9 13 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 3 6 2 0 0 0 0 27 29 1 1 0 0 0 13 14 2 0 0 0 0 26 30 1 1 0 0 0 1 2 2 0 0 0 0 25 31 1 1 0 0 0 14 15 1 0 0 0 0 31 32 1 0 0 0 0 5 4 2 0 0 0 0 28 33 1 6 0 0 0 35 34 1 0 0 0 0 36 34 2 0 0 0 0 37 35 2 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 39 38 2 0 0 0 0 34 40 1 0 0 0 0 40 32 1 0 0 0 0 40 41 2 0 0 0 0 39 42 1 0 0 0 0 M END > CHEBI:85151 > quercetin 3-(6''-p-hydroxybenzoylgalactoside) > A benzoate ester obtained by the formal condensation of 6''-hydroxy group of quercetin 3-O-β-D-galactopyranoside with the carboxy group of 4-hydroxybenzoic acid. > 3 > 6''-hydroxybenzoylhyperin > 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(4-hydroxybenzoyl)-beta-D-galactopyranoside > C28H24O14 > 584.48180 > 584.11661 > 0 > O[C@H]1[C@@H](COC(=O)c2ccc(O)cc2)O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O > InChI=1S/C28H24O14/c29-13-4-1-11(2-5-13)27(38)39-10-19-21(34)23(36)24(37)28(41-19)42-26-22(35)20-17(33)8-14(30)9-18(20)40-25(26)12-3-6-15(31)16(32)7-12/h1-9,19,21,23-24,28-34,36-37H,10H2/t19-,21+,23+,24-,28+/m1/s1 > ODOAOGXWFNLKLU-LPLXGARPSA-N > 5694409 > C00005949 > LMPK12112070 $$$$