LMPK12112249 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 12.0170 12.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0170 11.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9214 11.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8257 11.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8257 12.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9214 13.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1126 11.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2082 11.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3037 11.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3037 10.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2082 9.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1126 10.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3994 11.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4950 11.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4950 10.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3994 9.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2082 8.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5906 11.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0170 9.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3994 8.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5751 13.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6215 11.3045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8532 8.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1797 7.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6718 5.8160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4252 8.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1690 5.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1812 8.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0992 8.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2616 7.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5076 6.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5896 7.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8355 6.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3251 12.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0150 11.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9988 9.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4595 9.8288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2148 8.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4651 10.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3169 11.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1634 10.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1550 9.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3033 9.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2952 8.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2415 15.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7840 16.4899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6549 15.7913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2845 13.5298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6328 14.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3437 13.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1769 14.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9510 15.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8862 15.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0530 14.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9884 13.8179 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 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 27 33 1 0 0 0 32 26 1 0 0 0 26 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 0 0 0 32 33 1 1 0 0 28 19 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 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 22 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 21 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 M END > LMPK12112249 > Quercetin 3,3',4'-triglucoside > > C33H40O22 > 788.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > ORLCCXFOUIQWHP-GZIDCZEMSA-N > InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)50-12-2-1-9(3-13(12)51-32-27(47)24(44)20(40)16(7-35)53-32)29-30(22(42)18-11(38)4-10(37)5-14(18)49-29)55-33-28(48)25(45)21(41)17(8-36)54-33/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,28-,31-,32-,33+/m1/s1 > C1C=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC=1C1=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(=O)C2C(O)=CC(O)=CC=2O1 > - > - > - > - > - > - > 101124189 > - > - > - > - > - > 33090 > - $$$$