LMPK12111359 LIPID_MAPS_STRUCTURE_DATABASE 41 44 0 0 0 999 V2000 10.7394 8.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7394 7.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6453 7.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5511 7.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5511 8.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6453 9.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4568 7.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3626 7.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3626 8.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4568 9.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2683 9.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1740 8.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0798 9.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0798 10.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1740 11.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2683 10.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4568 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6453 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0259 11.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8272 9.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6453 10.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6825 10.5992 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9933 10.5992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6825 11.4559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6825 9.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8885 14.0085 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8885 14.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8885 13.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1326 14.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6502 10.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8043 12.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9519 14.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7951 12.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3674 14.6575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2209 11.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2241 11.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8012 12.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3750 13.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3719 13.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9457 13.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9457 13.8432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 2 0 0 0 0 6 1 1 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 20 1 1 0 0 0 0 6 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 2 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 34 40 1 0 0 0 39 33 1 0 0 0 33 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 1 0 0 36 30 1 6 0 0 37 31 1 1 0 0 38 32 1 6 0 0 40 41 2 0 0 0 35 21 1 1 0 0 30 22 1 0 0 0 0 32 26 1 0 0 0 0 M END > LMPK12111359 > 8-Hydroxyapigenin 8-(2'',4''-disulfatoglucuronide) > > C21H18O18S2 > 621.99 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > QOKHDJUJQRSHRZ-SZCFVHRKSA-N > InChI=1S/C21H18O18S2/c22-8-3-1-7(2-4-8)12-6-10(24)13-9(23)5-11(25)15(16(13)35-12)36-21-18(39-41(32,33)34)14(26)17(38-40(29,30)31)19(37-21)20(27)28/h1-6,14,17-19,21-23,25-26H,(H,27,28)(H,29,30,31)(H,32,33,34)/t14-,17-,18+,19-,21+/m0/s1 > C1(O)C(O[C@H]2[C@H](OS(=O)(=O)O)[C@@H](O)[C@H](OS(O)(=O)=O)[C@@H](C(=O)O)O2)=C2OC(C3C=CC(O)=CC=3)=CC(=O)C2=C(O)C=1 > - > - > - > - > - > - > 5318665 > - > - > - > - > - > 33090 > - $$$$