LMPK12110595 LIPID_MAPS_STRUCTURE_DATABASE 43 46 0 0 0 999 V2000 8.5869 9.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5798 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5798 11.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5869 12.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5943 11.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5943 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5726 9.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5653 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5653 11.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5726 12.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5047 12.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4689 11.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4332 12.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4332 13.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4689 13.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5047 13.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2708 13.7007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4689 14.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0982 15.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7325 12.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5869 9.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5726 9.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7070 9.7559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6755 9.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3467 7.5086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0503 5.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3939 8.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5806 5.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0431 8.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0273 8.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3625 7.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7143 6.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7301 7.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0819 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3826 10.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1238 11.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3485 9.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3467 7.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8467 6.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8467 8.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7575 5.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4986 4.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7234 5.5412 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 2 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 3 1 0 0 0 0 9 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 14 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 5 20 1 0 0 0 0 1 21 1 0 0 0 0 7 22 2 0 0 0 0 8 23 1 0 0 0 0 28 34 1 0 0 0 33 27 1 0 0 0 27 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 0 0 0 33 34 1 1 0 0 29 23 1 1 0 0 30 24 1 6 0 0 31 25 1 1 0 0 32 26 1 6 0 0 24 35 1 0 0 0 35 36 1 0 0 0 35 37 2 0 0 0 25 38 1 0 0 0 38 39 2 0 0 0 38 40 1 0 0 0 26 41 1 0 0 0 41 42 2 0 0 0 41 43 1 0 0 0 M END > LMPK12110595 > Isorhamnetin 3-O-beta-D-2'',3'',4''-triacetylglucopyranoside > > C28H28O15 > 604.14 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > IEPFJUWLUIZSOQ-DCLXZINWSA-N > InChI=1S/C28H28O15/c1-11(30)38-24-20(10-29)42-28(27(40-13(3)32)26(24)39-12(2)31)43-25-22(36)21-17(35)8-15(33)9-19(21)41-23(25)14-5-6-16(34)18(7-14)37-4/h5-9,20,24,26-29,33-35H,10H2,1-4H3/t20-,24-,26+,27-,28+/m1/s1 > C1(O)C=C(O)C=C2OC(C3C=C(OC)C(O)=CC=3)=C(O[C@H]3[C@H](OC(=O)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](CO)O3)C(=O)C=12 > - > - > - > - > - > - > 12096313 > - > - > - > - > - > 33090 > - $$$$