LMPK12112256 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 999 V2000 12.1280 17.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1280 16.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0185 15.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9092 16.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9092 17.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0185 17.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2374 15.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3467 16.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4561 15.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4561 14.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3467 14.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2374 14.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5654 16.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 15.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 14.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5654 14.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3467 13.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7843 16.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1280 14.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5654 13.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6470 17.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6927 15.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4870 9.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7838 8.7966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4872 10.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1903 10.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1905 11.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4866 10.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4852 10.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 11.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8919 12.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8932 12.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1883 11.9363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6190 10.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7378 10.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7592 13.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5706 11.1697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7537 10.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1235 12.9088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2081 10.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0351 13.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8508 12.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7548 11.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8465 11.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0308 11.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1225 11.5002 0.0000 C 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 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 30 33 1 0 0 0 0 29 34 1 0 0 0 0 34 35 1 0 0 0 0 40 46 1 0 0 0 45 39 1 0 0 0 39 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 0 0 0 45 46 1 1 0 0 41 19 1 1 0 0 42 36 1 6 0 0 43 37 1 1 0 0 44 38 1 1 0 0 40 23 1 0 0 0 0 M END > LMPK12112256 > Quercetin 3-(6''-feruloylgalactoside) > > C31H28O15 > 640.14 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > PSBFVXDMNYDZMV-OVIBHWRASA-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 > C1C=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](COC(/C=C/C3C=CC(O)=C(OC)C=3)=O)O2)C(=O)C2C(O)=CC(O)=CC=2O1 > - > - > - > - > - > - > 11490636 > - > - > - > - > - > 33090 > - $$$$