LMPK12112098 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 7.6170 11.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6170 10.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5018 10.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3865 10.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3865 11.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5018 12.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2713 10.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1559 10.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1559 11.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2713 12.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2713 9.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0404 12.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9421 11.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8438 12.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8438 13.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9421 13.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0404 13.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 12.1085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1422 10.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5018 9.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8521 13.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9421 14.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1177 10.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5330 9.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0138 7.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6332 8.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8914 9.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8580 9.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5665 8.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3068 8.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3403 7.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0806 6.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3159 6.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8907 4.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9609 5.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4601 7.2172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0987 7.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3529 6.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6403 5.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6734 5.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4231 6.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1357 7.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8853 8.6224 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 16 22 1 0 0 0 0 31 26 1 0 0 0 26 27 1 0 0 0 27 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 1 0 0 28 23 1 6 0 0 29 24 1 1 0 0 30 25 1 6 0 0 32 33 1 0 0 0 42 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 6 0 0 38 33 1 1 0 0 39 34 1 6 0 0 40 35 1 6 0 0 41 36 1 1 0 0 27 19 1 1 0 0 M END > LMPK12112098 > Rutin > 3,3',4',5,7-Pentahydroxyflavone 3-rutinoside > C27H30O16 > 610.15 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > 3-Rutinosylquercetin > IKGXIBQEEMLURG-NVPNHPEKSA-N > InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 > C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)C(=O)C=2C(O)=C1 > C05625 > - > 28527 > - > - > - > 5280805 > - > - > - > - > - > 33090 > - $$$$