LMPK12110999 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 999 V2000 9.4449 6.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5244 7.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6036 6.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6036 5.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5244 5.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4449 5.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6830 7.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7622 6.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7931 5.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6830 5.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8893 7.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6830 4.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5244 4.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4523 7.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3731 6.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2940 7.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2940 8.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3731 8.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4523 8.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0868 8.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9303 8.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9304 10.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6414 11.1084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5008 8.6394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1779 11.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6426 8.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7858 8.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7871 9.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6426 10.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4993 9.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3549 10.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2099 7.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 8.1688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5194 10.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0836 9.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0783 8.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 8.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3632 8.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3714 9.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2316 10.1332 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 1 0 0 M END > LMPK12110999 > Isoswertisin 2''-O-beta-arabinoside > > C27H30O14 > 578.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > YQIWCUKZIPUVPY-SMKSFKSNSA-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-/m0/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 > - > - > - > - > - > - > 44258342 > - > - > - > - > - > 33090 > - $$$$