LMPK12110229 LIPID_MAPS_STRUCTURE_DATABASE 51 56 0 0 0 999 V2000 11.7474 7.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7474 6.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6598 5.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5723 6.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5723 7.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6598 7.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4847 5.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3972 6.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3972 7.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4847 7.6980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4847 4.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8354 7.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6687 8.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6598 4.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4107 7.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3720 7.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3336 7.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3336 8.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3720 9.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4107 8.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2946 9.3965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9818 7.1058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2554 6.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2719 4.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8658 4.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0726 2.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8602 5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9901 6.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1254 5.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1338 4.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0039 4.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0122 3.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8027 8.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8027 9.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6687 10.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5347 9.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5347 8.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9366 8.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9366 10.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6687 11.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2139 0.9558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2187 0.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0869 2.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5066 3.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9788 3.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0774 2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6481 1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6479 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0821 2.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5114 3.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9455 4.2488 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 26 1 1 0 0 47 41 1 6 0 0 48 42 1 1 0 0 49 43 1 6 0 0 M END > LMPK12110229 > Schaftoside 6''-O-glucoside > > C32H38O19 > 726.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > ARMXZLWESJKVKR-VSZHVMBZSA-N > InChI=1S/C32H38O19/c33-6-14-20(38)25(43)28(46)32(51-14)48-8-15-21(39)24(42)27(45)31(50-15)17-22(40)16-11(35)5-13(9-1-3-10(34)4-2-9)49-29(16)18(23(17)41)30-26(44)19(37)12(36)7-47-30/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)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)O1 > - > - > - > - > - > - > 44257685 > - > - > - > - > - > 33090 > - $$$$