LMPK12112218 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 0 0 0 0 0999 V2000 7.4780 9.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4780 8.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3807 8.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2834 8.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2834 9.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3807 10.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1861 8.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0890 8.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0890 9.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1861 10.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1861 7.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2255 10.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1456 10.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0657 10.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0657 11.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1456 12.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2255 11.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3807 7.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0503 12.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 10.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0029 8.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1456 13.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4330 8.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9754 7.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5108 8.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9443 7.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8112 7.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2447 8.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8112 8.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9443 8.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2441 9.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1104 8.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2440 6.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6837 13.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4763 12.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6325 10.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0262 10.7548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9567 9.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9451 11.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7617 12.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6598 11.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7377 10.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9211 10.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9991 9.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 4 3 1 0 0 0 0 16 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 29 31 1 0 0 0 0 28 32 1 0 0 0 0 27 33 1 0 0 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 1 0 0 39 19 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 38 23 1 0 0 0 0 M END > LMPK12112218 > Quercetin 4'-(6''-galloylglucoside) > 3,5,7,3',4'-Pentahydroxyflavone 4'-(6''-galloylglucoside) > C28H24O16 > 616.11 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > DJKLSYQJVKLXFN-JXOXKRRHSA-N > InChI=1S/C28H24O16/c29-11-6-13(31)19-17(7-11)42-26(24(38)22(19)36)9-1-2-16(12(30)3-9)43-28-25(39)23(37)21(35)18(44-28)8-41-27(40)10-4-14(32)20(34)15(33)5-10/h1-7,18,21,23,25,28-35,37-39H,8H2/t18-,21-,23+,25-,28-/m1/s1 > C1(O)=CC2OC(C3C=C(O)C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C5C=C(O)C(O)=C(O)C=5)=O)O4)=CC=3)=C(O)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 88443112 > - > - > - > - > - > 33090; 3932 > - $$$$