LMPK12111006 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 0 0 0 0 0999 V2000 10.3280 -5.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4169 -5.4029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5056 -5.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5056 -6.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4169 -7.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3280 -6.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5944 -5.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6831 -5.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7136 -6.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5944 -7.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8192 -5.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5944 -8.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4169 -8.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3251 -5.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2364 -5.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1478 -5.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1478 -4.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2364 -3.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3251 -4.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9324 -3.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8597 -4.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8598 -2.4559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5532 -1.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4038 -3.9245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0740 -1.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5544 -4.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7065 -3.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7077 -2.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5545 -2.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4023 -2.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2491 -2.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0009 -6.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5805 -10.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8774 -11.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1934 -10.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8981 -8.4384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4563 -9.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7454 -8.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7385 -9.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8842 -10.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0423 -9.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0492 -8.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2073 -8.4266 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 37 43 1 0 0 0 42 36 1 0 0 0 36 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 0 0 0 42 43 1 1 0 0 38 12 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 M END > LMPK12111006 > Isoswertisin 5-O-glucoside > 5,4'-Dihydroxy-7-methoxyflavone 5-O-glucoside-8-C-glucoside > C28H32O15 > 608.17 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > BDXOJJDLYMCIFK-QQUSBYFVSA-N > InChI=1S/C28H32O15/c1-39-14-7-15(42-28-25(38)23(36)21(34)17(9-30)43-28)18-12(32)6-13(10-2-4-11(31)5-3-10)40-26(18)19(14)27-24(37)22(35)20(33)16(8-29)41-27/h2-7,16-17,20-25,27-31,33-38H,8-9H2,1H3/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28-/m1/s1 > C1(C2C=CC(O)=CC=2)=CC(=O)C2C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC(OC)=C([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C=2O1 > - > - > - > - > - > - > 155951 > - > - > - > - > - > 33090; 82713 > - $$$$