LMPK12110760 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 0 0 0 0 0999 V2000 8.8053 -8.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8053 -9.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6849 -9.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5646 -9.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5646 -8.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6849 -7.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4441 -9.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3236 -9.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3236 -8.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4441 -7.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4441 -10.5274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9263 -7.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3007 -7.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2174 -8.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1540 -7.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1735 -6.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2566 -6.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3203 -6.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0531 -6.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6849 -10.7509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2566 -5.0685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5456 -4.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9732 -6.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9733 -4.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6742 -3.7448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5285 -6.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2016 -3.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6754 -6.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8237 -6.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -5.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6755 -4.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5270 -5.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3775 -4.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7241 -1.8647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6279 -1.3691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0040 -2.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8442 -4.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3732 -4.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1510 -3.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4122 -2.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3667 -2.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0547 -3.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7934 -3.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4815 -4.6646 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 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 13 9 1 0 0 0 0 16 19 1 0 0 0 0 3 20 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 27 33 1 0 0 0 32 26 1 0 0 0 26 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 0 0 0 32 33 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 28 6 1 1 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 27 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 M END > LMPK12110760 > Scoparin 6''-O-glucoside > 5,7,4'-Trihydroxy-3'-methoxyflavone 8-C-[glucosyl-(1->6) glucoside] > C28H32O16 > 624.17 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > HLDFVQBORWFGAX-QQUSBYFVSA-N > InChI=1S/C28H32O16/c1-40-15-4-9(2-3-10(15)30)14-6-13(33)18-11(31)5-12(32)19(26(18)42-14)27-24(38)22(36)21(35)17(43-27)8-41-28-25(39)23(37)20(34)16(7-29)44-28/h2-6,16-17,20-25,27-32,34-39H,7-8H2,1H3/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28-/m1/s1 > C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)O2)C2OC(C3C=C(OC)C(O)=CC=3)=CC(=O)C=2C(O)=C1 > - > - > - > - > - > - > 163104288 > - > - > - > - > - > 33090; 329212 > - $$$$