LMPK12112276 LIPID_MAPS_STRUCTURE_DATABASE 38 41 0 0 0 999 V2000 9.2182 11.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2182 10.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1428 9.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0673 10.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0674 11.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1428 11.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9921 9.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9166 10.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9167 11.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9919 11.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9921 8.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8410 11.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7833 11.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7258 11.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7257 12.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7833 13.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8410 12.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9405 9.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6678 13.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1428 8.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 11.8605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6113 11.8605 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5326 11.8604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6112 12.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6113 11.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7834 14.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9090 9.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5802 7.1694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2839 5.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6274 7.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8142 5.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2766 8.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2608 8.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5960 7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9478 6.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9636 6.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3154 6.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3196 6.1040 0.0000 O 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 3 4 1 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 18 8 1 0 0 0 0 15 19 1 0 0 0 0 3 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 2 0 0 0 0 1 23 1 0 0 0 0 16 26 1 0 0 0 0 31 37 1 0 0 0 36 30 1 0 0 0 30 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 1 0 0 32 18 1 1 0 0 33 27 1 6 0 0 34 28 1 1 0 0 35 29 1 6 0 0 37 38 2 0 0 0 M END > LMPK12112276 > Quercetin 3-glucuronide-7-sulfate > > C21H18O16S > 558.03 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > UZHUMGQOPXDLRD-ZUGPOPFOSA-N > InChI=1S/C21H18O16S/c22-8-2-1-6(3-9(8)23)17-18(35-21-16(28)14(26)15(27)19(36-21)20(29)30)13(25)12-10(24)4-7(5-11(12)34-17)37-38(31,32)33/h1-5,14-16,19,21-24,26-28H,(H,29,30)(H,31,32,33)/t14-,15-,16+,19-,21+/m0/s1 > C1(OS(=O)(=O)O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 44259320 > - > - > - > - > - > 33090 > - $$$$