LMPK12111345 LIPID_MAPS_STRUCTURE_DATABASE 49 53 0 0 0 999 V2000 10.6229 -3.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6229 -4.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3344 -4.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0462 -4.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0462 -3.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3344 -3.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7578 -4.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4693 -4.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4693 -3.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7578 -3.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7578 -5.4338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1807 -3.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9060 -3.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6314 -3.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6314 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9060 -1.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1807 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3344 -5.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2416 -1.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8033 -3.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3344 -2.5093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2716 -5.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3344 -5.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9341 -4.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1319 -2.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 -2.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8373 -3.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5714 -4.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6001 -4.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9001 -3.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1660 -2.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4658 -2.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5368 -6.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8286 -8.3225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8512 -8.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9247 -6.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -8.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9099 -5.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5519 -6.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1900 -7.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2052 -7.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5632 -7.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5860 -7.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7402 -2.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8332 -2.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 -1.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4532 -8.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2643 -9.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6972 -8.1222 0.0000 O 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 26 44 1 0 0 0 44 45 1 0 0 0 44 46 2 0 0 0 37 47 1 0 0 0 47 48 1 0 0 0 47 49 2 0 0 0 M END > LMPK12111345 > Isoscutellarein 7-(6'''-acetylallosyl-(1->2)-6''-acetylglucoside) > > C31H34O18 > 694.17 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > PWOFHOJJMWJGLT-YMRZOMLSSA-N > InChI=1S/C31H34O18/c1-11(32)43-9-19-22(37)25(40)27(42)30(47-19)49-29-26(41)23(38)20(10-44-12(2)33)48-31(29)46-18-8-16(36)21-15(35)7-17(45-28(21)24(18)39)13-3-5-14(34)6-4-13/h3-8,19-20,22-23,25-27,29-31,34,36-42H,9-10H2,1-2H3/t19-,20-,22-,23-,25-,26+,27-,29-,30+,31-/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(=O)C)O3)[C@@H](O)[C@H](O)[C@@H](COC(=O)C)O2)=C(O)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1 > - > - > - > - > - > - > 101012655 > - > - > - > - > - > 33090 > - $$$$