LMPK12112216 LIPID_MAPS_STRUCTURE_DATABASE 52 57 0 0 0 999 V2000 7.5203 13.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5203 12.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4055 11.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2908 12.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2908 13.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4055 14.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1762 11.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0615 12.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0615 13.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1762 14.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1762 11.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1763 14.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0786 13.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9808 14.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9808 15.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0786 15.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1763 15.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4055 10.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2440 15.8448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 14.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9579 11.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0786 16.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8468 10.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8468 11.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7487 10.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7487 9.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4927 9.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2367 9.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2367 10.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4927 10.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9793 9.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4930 7.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9009 6.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6139 7.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1923 6.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 6.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9121 7.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0721 7.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6522 6.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0721 6.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9121 6.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8141 6.8380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0942 10.1697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2353 8.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2446 8.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 10.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5306 10.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0988 10.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6671 9.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6718 9.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1037 9.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 9.8517 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 4 3 1 0 0 0 0 16 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 25 1 0 0 0 0 28 31 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 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 36 1 0 0 0 0 39 42 1 0 0 0 0 51 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 6 0 0 47 21 1 1 0 0 48 43 1 6 0 0 49 44 1 6 0 0 50 45 1 1 0 0 43 23 1 0 0 0 0 45 32 1 0 0 0 0 M END > LMPK12112216 > Quercetin 3-(2''-p-hydroxybenzoyl-4''-p-coumarylrhamnoside) > > C37H30O15 > 714.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > VJZCKTQRIDJDHL-CQWNOICSSA-N > InChI=1S/C37H30O15/c1-17-32(50-28(44)13-4-18-2-8-21(38)9-3-18)31(46)35(51-36(47)19-5-10-22(39)11-6-19)37(48-17)52-34-30(45)29-26(43)15-23(40)16-27(29)49-33(34)20-7-12-24(41)25(42)14-20/h2-17,31-32,35,37-43,46H,1H3/b13-4+/t17-,31+,32-,35+,37-/m0/s1 > C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](OC(C4C=CC(O)=CC=4)=O)[C@H](O)[C@@H](OC(/C=C/C4C=CC(O)=CC=4)=O)[C@H](C)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 14484614 > - > - > - > - > - > 33090 > - $$$$