LMPK12110761 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 999 V2000 12.7421 10.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2083 9.1484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7720 10.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2867 9.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3164 9.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8321 10.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8631 10.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3787 9.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8631 8.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8321 8.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4084 9.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5857 10.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4933 10.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 14.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 13.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1967 12.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1059 13.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1059 14.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1967 14.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0153 12.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9245 13.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9245 14.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0153 14.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0153 11.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3788 14.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1967 11.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9346 14.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8925 14.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8506 14.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8506 15.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8925 16.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9346 15.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5884 16.4640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8081 14.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2164 11.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4829 10.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7546 11.1366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4826 13.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9918 12.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3522 12.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3522 11.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4826 11.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6188 11.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6188 12.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7546 13.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8083 13.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 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 14 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 20 24 2 0 0 0 0 14 25 1 0 0 0 0 16 26 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 27 22 1 0 0 0 0 30 33 1 0 0 0 0 29 34 1 0 0 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 40 15 1 1 0 0 34 46 1 0 0 0 35 1 1 0 0 0 0 M END > LMPK12110761 > Isoscoparin 2''-O-ferulate > > C32H30O14 > 638.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > DHXHQFPPCWRLFJ-UORAIFPRSA-N > InChI=1S/C32H30O14/c1-42-21-9-14(3-6-16(21)34)4-8-25(38)46-32-30(41)28(39)24(13-33)45-31(32)27-19(37)12-23-26(29(27)40)18(36)11-20(44-23)15-5-7-17(35)22(10-15)43-2/h3-12,24,28,30-35,37,39-41H,13H2,1-2H3/b8-4+/t24-,28-,30+,31+,32-/m1/s1 > C(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1C1=C(O)C2C(=O)C=C(C3C=CC(O)=C(OC)C=3)OC=2C=C1O)(/C=C/C1C=CC(O)=C(OC)C=1)=O > - > - > - > - > - > - > 44258177 > - > - > - > - > - > 33090 > - $$$$