LMPK12112114 LIPID_MAPS_STRUCTURE_DATABASE 54 59 0 0 0 999 V2000 8.0932 13.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0932 12.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9239 11.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7546 12.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7546 13.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9239 13.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5853 11.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4161 12.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4161 13.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5853 13.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5853 11.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2465 13.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0931 13.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9398 13.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9398 14.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0931 15.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2465 14.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2629 13.8889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0047 11.8695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9239 11.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8863 15.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0931 16.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5242 10.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1765 8.6351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2991 7.9544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8766 10.5648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7713 8.2405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8189 10.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5854 10.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4099 9.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4712 8.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7047 9.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7659 9.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2953 6.9432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9337 4.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0515 4.3071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6475 6.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5258 4.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5922 7.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3542 6.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1717 5.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2306 5.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4687 5.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5275 5.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9494 12.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8791 11.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3799 9.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7414 9.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4872 10.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1997 11.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1667 10.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4169 9.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7044 9.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9547 8.1414 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 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 38 44 1 0 0 0 43 37 1 0 0 0 37 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 0 0 0 43 44 1 1 0 0 39 27 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 28 19 1 1 0 0 53 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 0 0 0 53 54 1 6 0 0 49 23 1 1 0 0 50 45 1 6 0 0 51 46 1 6 0 0 52 47 1 1 0 0 M END > LMPK12112114 > Quercetin 3-(2G-rhamnosylgentiobioside) > > C33H40O21 > 772.21 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > NRTALHZHXXNSOY-WHBTYZLHSA-N > InChI=1S/C33H40O21/c1-9-19(39)23(43)27(47)32(49-9)54-30-25(45)21(41)17(8-48-31-26(46)24(44)20(40)16(7-34)51-31)52-33(30)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,30+,31+,32-,33-/m0/s1 > C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 44259163 > - > - > - > - > - > 33090 > - $$$$