LMPK12112145 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 0 0 0 0 0999 V2000 6.3148 10.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3148 10.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0072 9.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6996 10.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6996 10.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0072 11.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3920 9.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0844 10.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0844 10.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3920 11.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3920 9.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7766 11.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4823 10.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1880 11.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1880 12.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4823 12.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7766 12.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8911 9.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1924 10.0654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7098 9.2297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6377 9.4948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5712 9.2297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0538 10.0654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1259 9.8003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2874 9.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4605 10.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8184 9.8605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8935 12.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0072 8.9397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 11.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3540 9.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7842 8.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1446 7.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7306 6.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4823 13.3747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8125 7.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2505 6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1265 6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5269 6.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3278 6.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7282 6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3278 7.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5269 7.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5274 6.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3721 5.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0963 5.2475 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 19 20 1 0 0 0 0 20 21 1 0 0 0 0 23 22 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 6 0 0 0 24 26 1 6 0 0 0 23 27 1 6 0 0 0 20 18 1 1 0 0 0 18 8 1 0 0 0 0 22 21 1 0 0 0 0 15 28 1 0 0 0 0 3 29 1 0 0 0 0 1 30 1 0 0 0 0 22 31 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 16 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 38 1 0 0 0 0 41 44 1 0 0 0 0 40 45 1 0 0 0 0 45 46 1 0 0 0 0 M END > LMPK12112145 > Quercetin 3-(6''-ferulylglucoside) > > C31H28O15 > 640.14 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > PSBFVXDMNYDZMV-SMTCTBLTSA-N > InChI=1S/C31H28O15/c1-42-20-8-13(2-5-17(20)34)3-7-23(37)43-12-22-25(38)27(40)28(41)31(45-22)46-30-26(39)24-19(36)10-15(32)11-21(24)44-29(30)14-4-6-16(33)18(35)9-14/h2-11,22,25,27-28,31-36,38,40-41H,12H2,1H3/b7-3+/t22-,25-,27+,28-,31+/m1/s1 > C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@@H]3O[C@H](COC(/C=C/C4C=CC(O)=C(OC)C=4)=O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C=2C(O)=C1 > - > - > 192447 > - > - > - > 11114901 > - > - > - > - > - > 33090 > - $$$$