LMPK12112253 LIPID_MAPS_STRUCTURE_DATABASE 64 70 0 0 0 999 V2000 15.4000 14.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4000 13.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3046 13.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2094 13.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2094 14.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3046 15.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4952 13.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5905 13.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6859 13.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6859 12.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5905 11.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4952 12.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7812 13.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8765 13.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8765 12.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7812 11.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5905 10.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9717 13.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4000 11.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7812 10.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9588 15.3876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0052 13.4508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9588 12.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9572 12.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9731 13.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4765 14.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9732 13.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4668 13.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4635 13.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9716 13.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4780 14.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9860 15.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9660 10.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6184 8.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7410 7.9696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3185 10.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2608 10.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0273 10.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8517 9.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9131 8.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1465 9.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2078 9.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2634 12.1456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2321 11.7839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8995 9.9017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2862 9.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6026 8.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9484 10.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5970 11.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5836 11.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9171 10.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2685 9.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6022 8.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5743 7.8383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9265 6.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1237 7.5609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6859 9.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 9.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6729 8.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8462 7.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9449 8.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8648 9.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9634 9.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3875 9.8279 0.0000 O 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 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 6 0 0 27 18 1 1 0 0 28 23 1 6 0 0 29 24 1 6 0 0 30 25 1 1 0 0 41 36 1 0 0 0 36 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 1 0 0 38 33 1 6 0 0 39 34 1 1 0 0 40 35 1 6 0 0 47 53 1 0 0 0 52 46 1 0 0 0 46 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 0 0 0 52 53 1 1 0 0 48 33 1 1 0 0 49 43 1 6 0 0 50 44 1 1 0 0 51 45 1 6 0 0 62 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 6 0 0 59 54 1 6 0 0 60 55 1 6 0 0 61 56 1 1 0 0 37 19 1 1 0 0 42 64 1 0 0 0 58 64 1 1 0 0 M END > LMPK12112253 > Quercetin 3-rhamnosyl-(1->6)-[glucosyl-(1->2)-glucoside]-7-rhamnoside > > C39H50O25 > 918.26 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > CIWKSSSVUDYMTL-CUCSICAHSA-N > InChI=1S/C39H50O25/c1-10-21(44)26(49)30(53)36(57-10)56-9-19-24(47)29(52)35(64-38-32(55)28(51)23(46)18(8-40)61-38)39(62-19)63-34-25(48)20-16(43)6-13(59-37-31(54)27(50)22(45)11(2)58-37)7-17(20)60-33(34)12-3-4-14(41)15(42)5-12/h3-7,10-11,18-19,21-24,26-32,35-47,49-55H,8-9H2,1-2H3/t10-,11-,18+,19+,21-,22-,23+,24+,26+,27+,28-,29-,30+,31+,32+,35+,36+,37-,38-,39-/m0/s1 > C1C=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)=CC=2O1 > - > - > - > - > - > - > 21576552 > - > - > - > - > - > 33090 > - $$$$