LMPK12112149 LIPID_MAPS_STRUCTURE_DATABASE 56 61 0 0 0 0 0 0 0 0999 V2000 6.5912 -5.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5912 -6.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5188 -7.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4460 -6.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4460 -5.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5188 -5.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3734 -7.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3011 -6.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3011 -5.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3734 -5.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3734 -8.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2280 -5.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1731 -5.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1185 -5.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1185 -4.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1731 -3.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2280 -4.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6641 -5.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0632 -3.6111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9579 -7.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5188 -8.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0667 -7.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5899 -6.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9422 -7.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3206 -6.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0769 -6.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5317 -7.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4414 -7.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8961 -6.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4414 -6.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5317 -6.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8039 -6.8351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5011 -8.8005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1396 -10.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2566 -11.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8527 -8.8231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7306 -11.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7975 -8.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5598 -9.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3771 -10.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4360 -10.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6736 -9.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7322 -10.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3873 -8.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9120 -9.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5487 -11.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0829 -10.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5284 -12.5645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2625 -9.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2056 -9.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9691 -9.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7872 -10.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8443 -11.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6626 -12.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9330 -8.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1731 -2.6278 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 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 37 43 1 0 0 0 42 36 1 0 0 0 36 38 1 0 0 0 38 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 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 48 54 1 0 0 0 53 47 1 0 0 0 47 49 1 0 0 0 49 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 1 0 0 49 33 1 1 0 0 50 44 1 6 0 0 51 45 1 1 0 0 52 46 1 6 0 0 38 20 1 1 0 0 22 44 1 0 0 0 0 28 55 1 0 0 0 16 56 1 0 0 0 M END > LMPK12112149 > Quercetin 3-(2'''-caffeylsophoroside) > 3,5,7,3',4'-Pentahydroxyflavone 3-(2'''-caffeylsophoroside) > C36H36O20 > 788.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > NWOCYFGKUMMLPD-ZJNIXLGPSA-N > InChI=1S/C36H36O20/c37-11-22-26(46)29(49)33(54-24(45)6-2-13-1-4-16(40)18(42)7-13)35(52-22)56-34-30(50)27(47)23(12-38)53-36(34)55-32-28(48)25-20(44)9-15(39)10-21(25)51-31(32)14-3-5-17(41)19(43)8-14/h1-10,22-23,26-27,29-30,33-44,46-47,49-50H,11-12H2/b6-2+/t22-,23-,26-,27-,29+,30+,33-,34-,35+,36+/m1/s1 > C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](OC(/C=C/C5C=CC(O)=C(O)C=5)=O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 100927064 > - > - > - > - > - > 33090; 4102 > - $$$$