LMPK12112201 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 12.0353 8.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0353 7.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9661 7.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8970 7.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8970 8.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9661 9.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8279 7.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7587 7.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7587 8.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8279 9.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8279 6.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9309 9.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8794 9.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8283 9.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8283 10.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8794 11.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9309 10.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9661 6.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8435 11.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7012 7.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9236 9.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8794 12.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0587 8.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9922 8.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5065 6.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8693 5.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0885 4.6455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6082 6.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3158 7.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2846 7.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5418 6.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8342 5.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0913 4.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4502 3.9599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9094 7.5175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1688 6.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4477 7.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1899 9.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6944 8.9015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0560 9.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0489 8.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1758 7.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3153 8.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3224 9.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4619 9.5432 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 8 1 0 0 0 0 4 3 1 0 0 0 0 1 21 1 0 0 0 0 16 22 1 0 0 0 0 27 33 1 0 0 0 32 26 1 0 0 0 26 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 33 34 2 0 0 0 28 20 1 1 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 40 21 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 M END > LMPK12112201 > Quercetin 3-glucuronide-7-glucoside > > C27H28O18 > 640.13 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > FZJHCRDUXLHHKI-DGMRPHBWSA-N > InChI=1S/C27H28O18/c28-6-13-15(32)17(34)20(37)26(43-13)41-8-4-11(31)14-12(5-8)42-22(7-1-2-9(29)10(30)3-7)23(16(14)33)44-27-21(38)18(35)19(36)24(45-27)25(39)40/h1-5,13,15,17-21,24,26-32,34-38H,6H2,(H,39,40)/t13-,15-,17+,18+,19+,20-,21-,24+,26-,27-/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 101005581 > - > - > - > - > - > 33090 > - $$$$