LMPK12111344 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 999 V2000 10.0229 -3.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0229 -4.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7344 -5.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4462 -4.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4462 -3.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7344 -3.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1578 -5.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8693 -4.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8693 -3.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1578 -3.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1578 -5.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5807 -3.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3060 -3.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0314 -3.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0314 -2.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3060 -2.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5807 -2.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7344 -5.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6416 -2.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2033 -3.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7344 -2.8343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6716 -5.3419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7344 -5.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3341 -4.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5319 -2.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9584 -2.9143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2373 -3.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9714 -4.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0001 -4.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3001 -4.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5660 -3.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8658 -2.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9368 -6.7259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2286 -8.6475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2512 -9.1812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3247 -6.5735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7981 -8.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3099 -6.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9519 -6.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5900 -7.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6052 -8.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9632 -7.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9860 -7.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 -9.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 -10.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0972 -8.4472 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 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 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 12 1 0 0 0 0 18 3 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 6 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 1 0 0 27 20 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 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 22 1 1 0 0 39 33 1 6 0 0 40 34 1 6 0 0 41 35 1 6 0 0 37 44 1 0 0 0 44 45 2 0 0 0 44 46 1 0 0 0 M END > LMPK12111344 > Isoscutellarein 7-(6'''-acetylallosyl-(1->2)-glucoside) > > C29H32O17 > 652.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > WINFSIMEBFWGGD-KXWFOMFWSA-N > InChI=1S/C29H32O17/c1-10(31)41-9-18-21(36)23(38)25(40)28(45-18)46-27-24(39)20(35)17(8-30)44-29(27)43-16-7-14(34)19-13(33)6-15(42-26(19)22(16)37)11-2-4-12(32)5-3-11/h2-7,17-18,20-21,23-25,27-30,32,34-40H,8-9H2,1H3/t17-,18-,20-,21-,23-,24+,25-,27-,28+,29-/m1/s1 > C1(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@H](O)[C@@H](COC(C)=O)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C(O)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1 > - > - > - > - > - > - > 21576581 > - > - > - > - > - > 33090 > - $$$$