LMPK12110435 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 10.5613 10.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5613 9.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5236 9.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4856 9.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4856 10.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5236 11.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4478 9.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4100 9.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4100 10.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4478 11.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4478 8.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5994 11.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5236 8.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4786 11.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4926 10.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5065 11.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5065 12.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4926 13.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4786 12.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5195 13.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3728 12.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7229 7.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0832 6.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2743 7.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8214 9.6700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3963 8.8081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7313 9.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8185 8.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 7.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0915 8.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0043 9.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 9.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5987 7.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9322 5.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3918 3.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1184 6.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8906 6.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8284 6.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9943 5.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2241 4.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2863 5.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5160 4.5828 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 3 4 1 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 1 12 1 0 0 0 0 3 13 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 14 9 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 27 1 0 0 0 27 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 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 41 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 0 0 0 40 41 1 0 0 0 41 42 1 6 0 0 37 22 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 27 2 1 1 0 0 M END > LMPK12110435 > Isomargaritene > > C28H32O14 > 592.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > JIKPWRRUSIBFLE-KVQGGKNTSA-N > InChI=1S/C28H32O14/c1-10-20(32)23(35)25(37)28(39-10)42-27-24(36)21(33)17(9-29)41-26(27)19-14(31)8-16-18(22(19)34)13(30)7-15(40-16)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-21,23-29,31-37H,9H2,1-2H3/t10-,17+,20-,21+,23+,24-,25+,26-,27+,28-/m0/s1 > C1(O)=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@@H](O)[C@H](O)[C@@H](CO)O1 > - > - > - > - > - > - > 101675233 > - > - > - > - > - > 33090 > - $$$$