LMPK12140331 LIPID_MAPS_STRUCTURE_DATABASE 56 61 0 0 0 0 0 0 0 0999 V2000 15.9168 11.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8028 11.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9208 10.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8120 9.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6981 10.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6935 11.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5887 9.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4747 10.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4701 11.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5795 11.5691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2830 11.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1733 11.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0597 11.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0558 12.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1655 13.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2790 12.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5899 8.7180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1392 11.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8120 8.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0540 9.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8028 12.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7856 12.9877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5357 12.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 13.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6779 13.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1901 14.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1646 14.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6271 14.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1150 13.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5781 12.2727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6033 14.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6775 15.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7018 13.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2388 14.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4389 9.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5570 9.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6623 9.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6495 8.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5314 7.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4260 8.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3067 7.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5186 6.7556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7560 7.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5697 10.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6890 11.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1307 9.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1380 9.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1582 11.5193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6505 12.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1855 13.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1450 11.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6409 10.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6420 10.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1523 11.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6565 12.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1666 13.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 4 19 1 0 0 0 0 3 20 1 0 0 0 0 2 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 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 24 1 0 0 0 0 29 30 1 0 0 0 0 28 31 1 0 0 0 0 27 32 1 0 0 0 0 25 33 1 0 0 0 0 33 34 2 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 35 1 0 0 0 0 40 41 1 0 0 0 0 39 42 1 0 0 0 0 38 43 1 0 0 0 0 36 44 1 0 0 0 0 44 45 2 0 0 0 0 50 56 1 0 0 0 55 49 1 0 0 0 49 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 0 0 0 55 56 1 1 0 0 52 46 1 6 0 0 53 47 1 1 0 0 54 48 1 6 0 0 44 48 1 0 0 0 0 33 50 1 0 0 0 0 51 18 1 1 0 0 M END > LMPK12140331 > Matteucinol-7-O-[4'',6''-di-O-galloyl]-beta-D-glucopyranoside > 5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-(4,6-digalloylglucoside) > C38H36O18 > 780.19 > Polyketides [PK] > Flavonoids [PK12] > Flavanones [PK1214] > - > > CABURBSWUISLOV-HWDWOUQNSA-N > InChI=1S/C38H36O18/c1-14-28(44)27-20(39)12-25(16-4-6-19(51-3)7-5-16)53-34(27)15(2)33(14)56-38-32(48)31(47)35(55-37(50)18-10-23(42)30(46)24(43)11-18)26(54-38)13-52-36(49)17-8-21(40)29(45)22(41)9-17/h4-11,25-26,31-32,35,38,40-48H,12-13H2,1-3H3/t25-,26+,31+,32+,35+,38-/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](OC(=O)C3C=C(O)C(O)=C(O)C=3)[C@@H](COC(=O)C3C=C(O)C(O)=C(O)C=3)O2)C(C)=C(O)C2C(=O)C[C@@H](C3C=CC(OC)=CC=3)OC=2C=1C > - > - > - > - > - > - > 11828811 > - > - > - > - > - > 33090; 1420050 > 11678651 $$$$