LMPK12110544 LIPID_MAPS_STRUCTURE_DATABASE 54 59 0 0 0 0 0 0 0 0999 V2000 10.5168 -4.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5168 -5.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4053 -6.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2936 -5.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2936 -4.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4053 -4.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1823 -6.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0707 -5.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0707 -4.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1823 -4.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1823 -6.9846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6288 -4.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4053 -7.2101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0577 -4.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9938 -4.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9300 -4.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9300 -3.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9938 -2.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0577 -3.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6510 -2.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8656 -4.6404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4472 -7.6592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7534 -8.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0646 -7.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7531 -5.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3191 -6.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6029 -6.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6029 -7.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7531 -7.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9090 -7.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9090 -6.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0646 -5.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2139 -8.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3704 -10.4479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7627 -11.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7204 -9.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2476 -11.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5267 -8.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4099 -9.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4871 -10.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6833 -10.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8001 -10.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -10.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0435 -1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9293 -1.6003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4186 -3.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8403 -3.6601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9997 -4.9492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5919 -2.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2882 -2.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2330 -2.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4776 -3.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7813 -3.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0260 -4.8624 0.0000 C 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 1 12 1 0 0 0 0 3 13 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 14 9 1 0 0 0 0 17 20 1 0 0 0 0 16 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 27 2 1 1 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 38 22 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 20 1 1 0 0 50 44 1 6 0 0 51 45 1 1 0 0 52 46 1 6 0 0 M END > LMPK12110544 > Isoorientin 4',2''-di-O-glucoside > 5,7,3',4'-Tetrahydroxyflavone 6-C-[glucosyl-(1->2)-glucoside]-4'-O-glucoside > C33H40O21 > 772.21 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > RQSYXJLWNNTQIE-QPCXLFDESA-N > InChI=1S/C33H40O21/c34-6-16-23(42)27(46)31(54-33-29(48)26(45)22(41)18(8-36)53-33)30(50-16)20-12(39)5-15-19(24(20)43)11(38)4-14(49-15)9-1-2-13(10(37)3-9)51-32-28(47)25(44)21(40)17(7-35)52-32/h1-5,16-18,21-23,25-37,39-48H,6-8H2/t16-,17-,18-,21-,22-,23-,25+,26+,27+,28-,29-,30+,31-,32-,33+/m1/s1 > C1(O)=CC2OC(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=C(O)C=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@H](O)[C@H](O)[C@@H](CO)O1 > - > - > - > - > - > - > 162888575 > - > - > - > - > - > 33090; 49935 > - $$$$