LMPK12112392 LIPID_MAPS_STRUCTURE_DATABASE 39 42 0 0 0 0 0 0 0 0999 V2000 9.5297 10.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5296 9.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2782 9.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2784 10.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 11.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1528 9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0270 9.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0270 10.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1528 11.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1528 8.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9011 11.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7922 10.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6834 11.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6834 12.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7922 12.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9011 12.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9979 9.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6032 12.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 8.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8303 11.2759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7016 11.2757 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7271 11.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7016 12.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7016 10.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7922 13.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5793 14.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9975 9.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3028 7.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6076 6.0259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3034 7.3997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3890 5.0251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6501 8.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6499 8.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3031 7.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9553 6.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9556 6.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6079 5.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6285 5.4087 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 26 27 1 0 0 0 0 32 38 1 0 0 0 37 31 1 0 0 0 31 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 0 0 0 37 38 1 1 0 0 34 28 1 6 0 0 35 29 1 1 0 0 36 30 1 6 0 0 38 39 2 0 0 0 33 18 1 1 0 0 M END > LMPK12112392 > Isorhamnetin 3-glucuronide-7-sulfate > 3,5,7,4'-Tetrahydroxy-3'-methoxyflavone 3-glucuronide-7-sulfate > C22H20O16S > 572.05 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > WZDPRCUVWISQMO-NTKSAMNMSA-N > InChI=1S/C22H20O16S/c1-34-11-4-7(2-3-9(11)23)18-19(36-22-17(28)15(26)16(27)20(37-22)21(29)30)14(25)13-10(24)5-8(6-12(13)35-18)38-39(31,32)33/h2-6,15-17,20,22-24,26-28H,1H3,(H,29,30)(H,31,32,33)/t15-,16-,17+,20-,22+/m0/s1 > C1(OS(=O)(=O)O)=CC2OC(C3C=C(OC)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 > - > - > - > - > - > - > 178336205 > - > - > - > - > - > 33090; 63091 > - $$$$