LMPK12110762 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 8.6625 -5.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5717 -6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4809 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4809 -5.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5717 -4.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3903 -6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2995 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2995 -5.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3903 -4.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3903 -7.6228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7538 -4.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5717 -7.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3095 -4.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2675 -5.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2256 -4.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2256 -3.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2675 -3.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3095 -3.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9634 -2.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1831 -5.2238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5914 -8.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8579 -9.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1296 -8.3134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8576 -6.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3668 -6.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7272 -6.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7272 -7.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8576 -8.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9938 -7.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9938 -6.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1296 -6.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1833 -6.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4950 -1.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4322 -0.5522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8325 -1.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6348 -3.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2082 -3.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9293 -2.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1952 -1.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1665 -1.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8665 -2.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6006 -3.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3008 -3.9055 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 16 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 27 2 1 1 0 0 21 33 1 0 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 39 1 0 0 0 39 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 1 0 0 39 20 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 M END > LMPK12110762 > Isoscoparin 4'-O-glucoside > > C28H32O16 > 624.17 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > VAOOAPRSEDZAEV-JFECCKQBSA-N > InChI=1S/C28H32O16/c1-40-14-4-9(2-3-12(14)43-28-26(39)24(37)21(34)17(8-30)44-28)13-5-10(31)18-15(41-13)6-11(32)19(22(18)35)27-25(38)23(36)20(33)16(7-29)42-27/h2-6,16-17,20-21,23-30,32-39H,7-8H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26-,27+,28-/m1/s1 > C1(O)=CC2OC(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=C(OC)C=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1 > - > - > - > - > - > - > 44258178 > - > - > - > - > - > 33090 > - $$$$