LMPK12111930 LIPID_MAPS_STRUCTURE_DATABASE 54 59 0 0 0 999 V2000 12.6890 14.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6890 13.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6165 13.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5443 13.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5443 14.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6165 15.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7614 13.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8336 13.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9061 13.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9061 12.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7614 12.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9785 13.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0507 13.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0507 12.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9785 11.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8586 11.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1231 13.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3241 15.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9785 10.8389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0644 16.3993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7908 15.3861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7742 13.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1803 13.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9734 12.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1860 14.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0561 15.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9208 14.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9123 13.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0422 13.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0339 12.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9076 9.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9067 8.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9097 8.1453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 8.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4088 10.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9091 9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4062 9.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4078 9.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9075 9.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9090 9.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8475 7.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1495 5.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1800 5.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2360 7.8317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7291 5.7452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 8.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8627 7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5116 6.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5270 6.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8892 6.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9044 6.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8336 11.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4055 10.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9069 11.6096 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 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 11 7 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 10 1 0 0 0 0 13 17 1 0 0 0 0 5 18 1 0 0 0 0 15 19 1 0 0 0 0 24 30 1 0 0 0 29 23 1 0 0 0 23 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 1 0 0 25 18 1 1 0 0 26 20 1 6 0 0 27 21 1 1 0 0 28 22 1 6 0 0 34 40 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 1 0 0 36 31 1 6 0 0 37 32 1 1 0 0 38 33 1 6 0 0 45 51 1 0 0 0 50 44 1 0 0 0 44 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 1 0 0 46 34 1 1 0 0 47 41 1 6 0 0 48 42 1 1 0 0 49 43 1 6 0 0 52 11 1 0 0 0 0 10 52 1 0 0 0 0 52 16 2 0 0 0 0 39 53 1 0 0 0 53 35 1 0 0 0 35 54 1 1 0 0 11 54 1 0 0 0 0 M END > LMPK12111930 > Kaempferol 3-gentiobioside-4'-glucoside > > C33H40O21 > 772.21 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > NLAWSKQGKDCPGP-GZIDCZEMSA-N > InChI=1S/C33H40O21/c34-7-15-19(38)23(42)26(45)31(51-15)48-9-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-13(37)5-11(36)6-14(18)50-29(30)10-1-3-12(4-2-10)49-32-27(46)24(43)20(39)16(8-35)52-32/h1-6,15-17,19-21,23-28,31-40,42-47H,7-9H2/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=CC=1C1=C(O[C@@H]2O[C@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C2C(O)=CC(O)=CC=2O1 > - > - > - > - > - > - > 44259000 > - > - > - > - > - > 33090 > - $$$$