LMPK12110505 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 0 999 V2000 11.5524 -4.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5524 -5.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4116 -5.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2710 -5.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2710 -4.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4116 -3.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1304 -5.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9897 -5.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9897 -4.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1304 -3.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4116 -6.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6931 -3.7847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8555 -3.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6725 -4.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4893 -3.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4893 -2.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6725 -2.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8555 -2.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3060 -2.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6725 -1.3914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5307 -8.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0969 -9.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3161 -9.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1304 -6.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2555 -10.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5296 -10.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7298 -10.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9301 -10.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9301 -11.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7298 -12.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5296 -11.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1307 -12.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0709 -10.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0709 -8.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4873 -7.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7538 -8.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0256 -7.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7536 -5.2889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2627 -5.9363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6232 -5.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6232 -6.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7536 -7.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8897 -6.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8897 -5.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0256 -5.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33 34 1 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 3 11 1 0 0 0 0 1 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 7 24 2 0 0 0 0 23 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 28 33 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 35 21 1 0 0 0 0 40 2 1 1 0 0 M END > LMPK12110505 > Isoorientin 2''-O-(E)-ferulate > 6-[2-O-(4-Hydroxy-3-methoxycinnamoyl)-beta-D-glucopyranosyl]-3',4',5,7-tetrahydroxyflavone > C31H28O14 > 624.15 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > trans-Feruloyl-2''-isoorientin > RCTFTHQFTNXXON-DOKXGNKGSA-N > InChI=1S/C31H28O14/c1-42-21-8-13(2-5-16(21)34)3-7-24(38)45-31-29(41)27(39)23(12-32)44-30(31)26-19(37)11-22-25(28(26)40)18(36)10-20(43-22)14-4-6-15(33)17(35)9-14/h2-11,23,27,29-35,37,39-41H,12H2,1H3/b7-3+/t23-,27-,29+,30+,31-/m1/s1 > C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](OC(/C=C/C2C=CC(O)=C(OC)C=2)=O)[C@@H](O)[C@H](O)[C@@H](CO)O1 > - > - > - > - > - > - > 102153666 > - > - > - > - > - > 33090; 38850 > - $$$$