LMPK12112131 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 12.2695 9.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2695 8.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1973 7.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1255 8.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1255 9.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1973 9.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0536 7.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9815 8.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9815 9.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0536 9.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0536 6.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9090 9.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8548 9.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8006 9.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8006 11.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8548 11.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9090 11.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1973 6.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8129 11.6529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0310 7.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8548 12.7062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1611 10.0886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4500 8.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4422 7.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1493 9.4415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5070 10.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9024 11.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1586 9.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8036 8.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7970 8.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1507 9.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5057 10.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 11.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7476 6.6449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0376 4.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0341 4.4003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0910 7.0897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5581 4.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0971 7.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7460 6.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3888 5.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3870 5.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7382 6.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7364 5.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 6.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4737 4.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6568 3.8213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0266 6.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1111 3.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9383 6.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7538 6.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6580 5.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7496 4.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9340 5.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0255 4.9809 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 8 1 0 0 0 0 4 3 1 0 0 0 0 16 21 1 0 0 0 0 1 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 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 23 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 28 22 1 1 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 20 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 M END > LMPK12112131 > Quercetin 3-glucoside-7-sophoroside > > C33H40O22 > 788.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > LPNSZTWFQKDECJ-JKOXIANPSA-N > InChI=1S/C33H40O22/c34-6-15-19(40)23(44)26(47)31(51-15)54-29-22(43)18-13(39)4-10(5-14(18)50-28(29)9-1-2-11(37)12(38)3-9)49-33-30(25(46)21(42)17(8-36)53-33)55-32-27(48)24(45)20(41)16(7-35)52-32/h1-5,15-17,19-21,23-27,30-42,44-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,30-,31+,32+,33-/m1/s1 > C1(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 102065507 > - > - > - > - > - > 33090 > - $$$$