LMPK12110979 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 999 V2000 12.9304 -8.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9992 -8.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0678 -8.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0678 -10.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9992 -10.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9304 -10.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1366 -8.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2052 -8.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 -9.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1366 -10.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3223 -8.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1366 -11.5365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9992 -11.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9494 -8.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8808 -8.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8122 -8.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8122 -7.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8808 -6.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9494 -7.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6141 -6.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3637 -7.4117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3638 -5.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0945 -4.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9638 -6.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6487 -4.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0957 -7.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2291 -6.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2304 -5.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0958 -5.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9623 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8277 -5.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4860 -9.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6233 -8.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8970 -7.3869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9136 -5.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5075 -5.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5018 -6.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6317 -7.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 -6.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7755 -5.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6456 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 6 1 2 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 5 13 2 0 0 0 0 1 14 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 17 20 1 0 0 0 0 25 31 1 0 0 0 30 24 1 0 0 0 24 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 0 0 0 30 31 1 1 0 0 27 21 1 6 0 0 28 22 1 1 0 0 29 23 1 6 0 0 26 7 1 1 0 0 11 32 1 0 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 37 21 1 1 0 0 38 33 1 6 0 0 39 34 1 1 0 0 40 35 1 6 0 0 M END > LMPK12110979 > Isoswertisin 2''-O-xyloside > > C27H30O14 > 578.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > YQIWCUKZIPUVPY-GWHYTMBFSA-N > InChI=1S/C27H30O14/c1-37-16-7-13(31)18-12(30)6-15(10-2-4-11(29)5-3-10)39-24(18)19(16)25-26(22(35)21(34)17(8-28)40-25)41-27-23(36)20(33)14(32)9-38-27/h2-7,14,17,20-23,25-29,31-36H,8-9H2,1H3/t14-,17-,20+,21-,22+,23-,25+,26-,27+/m1/s1 > C1(C2C=CC(O)=CC=2)=CC(=O)C2C(O)=CC(OC)=C([C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C=2O1 > - > - > - > - > - > - > 44258323 > - > - > - > - > - > 33090 > - $$$$