LMPK12120465 LIPID_MAPS_STRUCTURE_DATABASE 63 69 0 0 0 0 0 0 0 0999 V2000 9.3908 8.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3908 7.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1226 7.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8543 7.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8543 8.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1226 8.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1226 9.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6589 7.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6589 8.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9271 8.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1954 8.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4636 8.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7317 8.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7317 7.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4636 7.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5862 7.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3180 7.5434 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.0497 7.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7816 7.5434 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.7816 8.3884 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.0497 8.8109 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3180 8.3884 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5862 8.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0497 9.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3180 10.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5862 9.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3180 10.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0497 11.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0497 12.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3180 12.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5862 12.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5862 11.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3180 13.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7816 12.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8543 12.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4191 8.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1058 8.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7487 8.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1058 9.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4806 8.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2124 8.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2124 9.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4806 9.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7487 9.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4806 10.8438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9441 9.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9441 8.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4806 7.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7487 7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7487 6.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4806 5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2124 6.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2124 7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9441 7.5350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9441 5.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4806 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0974 6.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6583 6.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0984 7.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9520 7.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6589 9.6997 0.0000 O 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 6 7 1 0 0 0 0 2 8 1 0 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 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 4 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 24 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 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 33 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 32 35 1 0 0 0 0 31 36 1 0 0 0 0 33 37 1 0 0 0 0 22 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 40 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 40 1 0 0 0 0 45 47 1 0 0 0 0 44 48 1 0 0 0 0 43 49 1 0 0 0 0 42 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 50 1 0 0 0 0 55 56 1 0 0 0 0 54 57 1 0 0 0 0 53 58 1 0 0 0 0 21 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 51 1 0 0 0 0 61 62 2 0 0 0 0 9 63 2 0 0 0 0 M END > LMPK12120465 > Thonningianin A > > C42H34O21 > 874.16 > Polyketides [PK] > Flavonoids [PK12] > Chalcones and dihydrochalcones [PK1212] > - > > XQVKQEFQGYTUAR-UHFFFAOYSA-N > InChI=1S/C42H34O21/c43-20(7-6-15-4-2-1-3-5-15)30-21(44)10-17(11-22(30)45)60-42-36(55)38(63-39(56)16-8-23(46)31(50)24(47)9-16)37-27(61-42)14-59-40(57)18-12-25(48)32(51)34(53)28(18)29-19(41(58)62-37)13-26(49)33(52)35(29)54/h1-5,8-13,27,36-38,42,44-55H,6-7,14H2 > C1(C(=O)CCC2C=CC=CC=2)C(O)=CC(OC2C(O)C(OC(C3C=C(O)C(O)=C(O)C=3)=O)C3OC(=O)C4C=C(O)C(O)=C(O)C=4C4C(O)=C(O)C(O)=CC=4C(=O)OCC3O2)=CC=1O > - > - > - > - > - > - > 42607674 > - > - > - > - > - > 33090 > - $$$$