LMPK12111974 LIPID_MAPS_STRUCTURE_DATABASE 37 40 0 0 0 999 V2000 9.4789 11.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4789 10.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3699 9.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2609 10.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2609 11.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3699 11.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1521 9.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0429 10.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0430 11.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1521 11.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1522 9.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9338 11.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8419 11.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7502 11.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7502 12.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8418 13.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9338 12.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0202 9.7960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6578 13.4931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3699 9.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 11.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5634 11.8774 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5823 11.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5634 12.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5634 10.8944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9497 9.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4540 7.3272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0302 5.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5597 8.1246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5220 5.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2731 8.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2377 8.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4893 7.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7773 6.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8127 7.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1007 6.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1168 6.6371 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 30 36 1 0 0 0 35 29 1 0 0 0 29 31 1 0 0 0 31 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 1 0 0 31 18 1 1 0 0 32 26 1 6 0 0 33 27 1 1 0 0 34 28 1 6 0 0 36 37 2 0 0 0 M END > LMPK12111974 > Kaempferol 3-glucuronide-7-sulfate > > C21H18O15S > 542.04 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > MSJQTZZHOBJVQR-ZUGPOPFOSA-N > InChI=1S/C21H18O15S/c22-8-3-1-7(2-4-8)17-18(34-21-16(27)14(25)15(26)19(35-21)20(28)29)13(24)12-10(23)5-9(6-11(12)33-17)36-37(30,31)32/h1-6,14-16,19,21-23,25-27H,(H,28,29)(H,30,31,32)/t14-,15-,16+,19-,21+/m0/s1 > C1(OS(=O)(=O)O)=CC2OC(C3C=CC(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 > - > - > - > - > - > - > 44259044 > - > - > - > - > - > 33090 > - $$$$