LMPK12110716 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 0 0 0 0 0999 V2000 19.1943 13.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1943 12.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1130 11.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0318 12.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0318 13.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1130 14.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2755 11.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3567 12.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4379 11.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4379 10.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3567 10.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2755 10.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5191 12.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6003 11.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6003 10.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5191 10.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3567 9.3915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6814 12.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5191 9.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7058 13.8871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7706 12.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6351 9.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6514 9.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0059 8.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8830 8.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2501 7.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6416 7.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0900 6.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1468 5.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7555 6.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3071 7.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5235 5.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6263 6.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6676 10.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9623 9.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2762 10.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9830 12.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5382 11.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8314 11.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8245 10.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9691 10.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1262 10.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1332 11.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2900 12.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1420 10.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2514 10.9765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7609 12.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3458 13.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1809 14.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5948 12.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8967 11.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9494 11.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 12.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4023 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1571 14.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 16 19 1 0 0 0 0 5 20 1 0 0 0 0 4 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 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 29 32 1 0 0 0 0 30 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 18 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 49 55 1 0 0 0 54 48 1 0 0 0 48 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 1 0 0 50 38 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 36 22 1 0 0 0 0 M END > LMPK12110716 > Luteolin 7-glucosyl-(1->6)-(4'''-caffeoylglucoside) > 5,7,3',4'-Tetrahydroxyflavone 7-glucosyl-(1->6) -(4"'-caffeoylglucoside) > C36H36O19 > 772.19 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > PREKJVTWKHSPSU-SPDAVFANSA-N > InChI=1S/C36H36O19/c37-12-25-29(45)30(46)32(48)35(53-25)50-13-26-34(55-27(44)6-2-14-1-4-17(38)19(40)7-14)31(47)33(49)36(54-26)51-16-9-21(42)28-22(43)11-23(52-24(28)10-16)15-3-5-18(39)20(41)8-15/h1-11,25-26,29-42,45-49H,12-13H2/b6-2+/t25-,26-,29-,30+,31-,32-,33-,34-,35-,36-/m1/s1 > C1C=C(O)C(O)=CC=1C1=CC(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](OC(/C=C/C4C=C(O)C(O)=CC=4)=O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O3)=CC=2O1 > - > - > - > - > - > - > 163105557 > - > - > - > - > - > 33090; 566143 > - $$$$