LMPK12112146 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 7.6563 12.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6563 11.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4976 10.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3388 11.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3388 12.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4976 12.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1799 10.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0211 11.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0211 12.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1799 12.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1799 9.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8620 12.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7194 12.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5767 12.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5767 13.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7194 14.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8620 13.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0011 10.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4338 14.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4976 9.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 12.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4186 6.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9157 5.3538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7194 15.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2300 6.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7621 5.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8263 5.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3127 4.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2857 4.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7721 5.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2857 6.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3127 6.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7430 5.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9086 11.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5547 12.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8296 11.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2902 12.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2091 12.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7177 11.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7346 11.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2433 12.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7346 13.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7177 13.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2600 12.2031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6486 11.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4567 10.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6142 8.6937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9854 8.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9325 7.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9036 9.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7273 10.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6330 10.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7117 9.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8879 8.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9666 7.5574 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 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 1 21 1 0 0 0 0 22 23 2 0 0 0 0 16 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 38 1 0 0 0 0 41 44 1 0 0 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 18 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 46 34 1 0 0 0 0 49 22 1 0 0 0 0 M END > LMPK12112146 > Quercetin 3-(3'',6''-di-p-coumarylglucoside) > > C39H32O16 > 756.17 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > RMWPNUYFHAPTBJ-NRDVXICOSA-N > InChI=1S/C39H32O16/c40-22-8-1-19(2-9-22)5-13-30(46)51-18-29-33(48)37(54-31(47)14-6-20-3-10-23(41)11-4-20)35(50)39(53-29)55-38-34(49)32-27(45)16-24(42)17-28(32)52-36(38)21-7-12-25(43)26(44)15-21/h1-17,29,33,35,37,39-45,48,50H,18H2/b13-5+,14-6+/t29-,33-,35-,37+,39+/m1/s1 > C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](OC(/C=C/C4C=CC(O)=CC=4)=O)[C@H](O)[C@@H](COC(/C=C/C4C=CC(O)=CC=4)=O)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 23265223 > - > - > - > - > - > 33090 > - $$$$