LMPK12120029 LIPID_MAPS_STRUCTURE_DATABASE 52 56 0 0 0 999 V2000 7.5513 14.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5513 13.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4031 12.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2549 13.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2549 14.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4031 14.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1068 12.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9585 13.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9585 14.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8103 14.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6622 14.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5139 14.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5139 15.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6622 16.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8103 15.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1068 12.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4031 12.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 14.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5561 16.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2362 15.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9978 16.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9952 18.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3558 17.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1911 19.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3542 16.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2349 16.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1172 16.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1159 17.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2352 18.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2338 19.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0605 14.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4899 12.1212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4665 13.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2760 14.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1155 13.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8497 12.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8323 12.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4079 10.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8647 9.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4022 10.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8994 9.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8939 9.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3905 10.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3835 10.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8799 9.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3835 8.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3905 8.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9224 11.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2977 12.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8799 9.5753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8836 11.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3837 12.1792 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 2 0 0 0 0 6 1 1 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 11 2 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 10 1 0 0 0 0 7 16 2 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 19 13 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 6 0 0 26 20 1 1 0 0 27 21 1 6 0 0 28 22 1 1 0 0 37 33 1 0 0 0 37 36 1 0 0 0 33 34 1 0 0 0 36 35 1 0 0 0 34 35 1 0 0 0 35 31 1 6 0 0 36 32 1 6 0 0 34 20 1 1 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 42 1 0 0 0 0 49 48 1 0 0 0 38 48 1 0 0 0 36 49 1 1 0 0 45 50 1 0 0 0 44 51 1 0 0 0 51 52 1 0 0 0 25 19 1 6 0 0 M END > LMPK12120029 > Isoliquiritigenin 4-O-(5'''-O-feruloyl)-apiofuranosyl-(1'''->2'')-glucoside > 4,2',4'-Trihydroxychalcone 4-O-(5'''-O-feruloyl)-apiofuranosyl-(1'''->2'')-glucoside > C36H38O16 > 726.22 > Polyketides [PK] > Flavonoids [PK12] > Chalcones and dihydrochalcones [PK1212] > - > > BYQKEKUAWGGZTQ-PMIHXJGWSA-N > InChI=1S/C36H38O16/c1-47-27-14-20(5-12-25(27)40)6-13-29(42)48-17-36(46)18-49-35(33(36)45)52-32-31(44)30(43)28(16-37)51-34(32)50-22-8-2-19(3-9-22)4-11-24(39)23-10-7-21(38)15-26(23)41/h2-15,28,30-35,37-38,40-41,43-46H,16-18H2,1H3/b11-4+,13-6+/t28-,30-,31+,32-,33+,34-,35+,36-/m1/s1 > C1(O)C=CC(C(=O)/C=C/C2C=CC(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@](COC(/C=C/C5C=CC(O)=C(OC)C=5)=O)(O)CO4)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2)=C(O)C=1 > - > - > 190327 > - > - > - > 101938903 > - > - > - > - > - > 33090 > - $$$$