LMPK12110306 LIPID_MAPS_STRUCTURE_DATABASE 51 56 0 0 0 999 V2000 7.9224 -4.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9224 -5.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8348 -5.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7473 -5.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7473 -4.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8348 -3.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6597 -5.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5722 -5.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5722 -4.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6597 -3.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6597 -6.5890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0104 -3.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8437 -2.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8348 -6.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5857 -3.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5470 -4.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5086 -3.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5086 -2.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5470 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5857 -2.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4696 -1.9619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1568 -4.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4304 -5.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4469 -7.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0408 -6.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2476 -8.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0352 -5.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1651 -5.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3004 -5.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3088 -6.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1789 -7.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1872 -8.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9777 -2.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9777 -1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8437 -0.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7097 -1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7097 -2.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1116 -2.9554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1116 -0.9554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8437 0.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1171 -0.8255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9252 -1.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0827 -3.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4539 -3.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4011 -5.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3721 -2.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1958 -1.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1016 -2.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1802 -3.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3565 -3.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4352 -4.8115 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 14 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 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 15 9 1 0 0 0 0 18 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 6 0 0 28 22 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 27 2 1 6 0 0 13 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 13 1 0 0 0 33 38 1 6 0 0 34 39 1 1 0 0 35 40 1 1 0 0 13 6 1 1 0 0 0 45 51 1 0 0 0 50 44 1 0 0 0 44 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 1 0 0 46 21 1 1 0 0 47 41 1 6 0 0 48 42 1 1 0 0 49 43 1 6 0 0 M END > LMPK12110306 > Schaftoside 4'-O-glucoside > > C32H38O19 > 726.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > RQNICSULQVIVER-VSZHVMBZSA-N > InChI=1S/C32H38O19/c33-6-14-20(38)24(42)27(45)31(50-14)17-22(40)16-11(35)5-13(49-29(16)18(23(17)41)30-26(44)19(37)12(36)8-47-30)9-1-3-10(4-2-9)48-32-28(46)25(43)21(39)15(7-34)51-32/h1-5,12,14-15,19-21,24-28,30-34,36-46H,6-8H2/t12-,14+,15+,19-,20+,21+,24-,25-,26+,27+,28+,30-,31-,32+/m0/s1 > C1(O)=C([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C2OC(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1 > - > - > - > - > - > - > 178335979 > - > - > - > - > - > 33090 > - $$$$