LMPK12050358 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 999 V2000 9.3721 12.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2762 12.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1799 12.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1799 11.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1170 10.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0544 11.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0544 12.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1170 12.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3724 11.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2762 10.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9910 10.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9910 9.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8870 8.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7828 9.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7828 10.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8870 10.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2762 9.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1170 9.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2762 13.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7626 8.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6791 10.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5923 12.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7593 12.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5356 10.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5299 9.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7451 7.5867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8930 7.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 8.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6372 9.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1719 9.8870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3177 9.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0697 8.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1410 8.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4656 8.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7137 9.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0382 10.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4884 8.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0513 7.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8686 5.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4363 6.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5255 7.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3971 7.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1798 6.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0883 5.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2168 5.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1254 4.5716 0.0000 C 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 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 1 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 6 11 1 0 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 10 17 1 0 0 0 0 5 18 2 0 0 0 0 2 19 1 0 0 0 0 1 22 1 0 0 0 0 15 21 1 0 0 0 0 14 20 1 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 20 25 1 0 0 0 0 30 36 1 0 0 0 35 29 1 0 0 0 29 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 1 0 0 32 26 1 6 0 0 33 27 1 1 0 0 34 28 1 6 0 0 45 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 0 0 0 44 45 1 0 0 0 45 46 1 6 0 0 41 26 1 1 0 0 42 37 1 6 0 0 43 38 1 6 0 0 44 39 1 1 0 0 31 17 1 1 0 0 M END > LMPK12050358 > > 5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-O-neohesperidoside > C31H38O15 > 650.22 > Polyketides [PK] > Flavonoids [PK12] > Isoflavonoids [PK1205] > - > > HBIBVIWVUMZFQY-ZUEUIZSRSA-N > InChI=1S/C31H38O15/c1-12-17(40-4)9-19(21-23(34)15(11-42-28(12)21)14-6-7-16(39-3)18(8-14)41-5)44-31-29(26(37)24(35)20(10-32)45-31)46-30-27(38)25(36)22(33)13(2)43-30/h6-9,11,13,20,22,24-27,29-33,35-38H,10H2,1-5H3/t13-,20+,22-,24+,25+,26-,27+,29+,30-,31+/m0/s1 > C1(OC)C=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2C(=O)C(C3C=C(OC)C(OC)=CC=3)=COC=2C=1C > - > - > - > - > - > - > 102470120 > - > - > - > - > - > 33090; 3091605 > - $$$$