LMPK12112417 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 7.4985 12.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4985 11.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3592 11.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2198 11.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2198 12.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3592 13.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0806 11.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9413 11.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9413 12.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0806 13.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0806 10.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0252 13.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9024 12.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7794 13.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7794 14.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9024 14.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0252 14.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3592 10.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7185 14.7556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7327 13.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9024 15.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6567 12.6942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0743 10.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6142 8.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6142 7.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3404 9.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0993 8.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8583 9.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8583 10.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0993 10.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3404 10.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6156 8.9094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6156 10.6601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0993 11.5356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5982 9.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2367 7.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3545 6.8493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9505 9.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8289 7.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8951 9.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6572 9.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4745 8.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5336 7.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7715 8.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8305 8.1465 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 4 3 1 0 0 0 0 16 21 1 0 0 0 0 14 22 1 0 0 0 0 23 8 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 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 0 0 0 44 45 1 1 0 0 40 23 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 1 0 0 35 24 1 0 0 0 0 M END > LMPK12112417 > Myricetin 3-(2''-galloylgalactoside) > > C28H24O17 > 632.10 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > QYLKPOARSREGIU-PLRKCHECSA-N > InChI=1S/C28H24O17/c29-7-17-21(38)23(40)26(44-27(41)9-3-14(34)20(37)15(35)4-9)28(43-17)45-25-22(39)18-11(31)5-10(30)6-16(18)42-24(25)8-1-12(32)19(36)13(33)2-8/h1-6,17,21,23,26,28-38,40H,7H2/t17-,21+,23+,26-,28+/m1/s1 > C1(O)=CC2OC(C3C=C(O)C(O)=C(O)C=3)=C(O[C@H]3[C@H](OC(C4C=C(O)C(O)=C(O)C=4)=O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 102156381 > - > - > - > - > - > 33090 > - $$$$