LMPK12112252 LIPID_MAPS_STRUCTURE_DATABASE 64 70 0 0 0 999 V2000 19.6190 13.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6190 12.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5240 11.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4290 12.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4290 13.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5240 14.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7141 11.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8090 12.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9041 11.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9041 10.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8090 10.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7141 10.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9990 12.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0941 11.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0941 10.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9990 10.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8090 9.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1890 12.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6190 10.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9990 9.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1787 13.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2252 12.0389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1860 10.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2138 10.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2322 12.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6927 13.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2359 14.2088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1882 12.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6953 11.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7067 11.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2160 12.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7090 13.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2182 14.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2378 12.5081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2657 12.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2961 14.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7627 15.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2520 14.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7530 13.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7645 13.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2799 14.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7789 15.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2942 15.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4947 9.8948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9915 7.9863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5888 6.6066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1398 8.7720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8428 9.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7933 9.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0410 8.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3396 7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3891 7.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6877 7.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9224 4.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3798 3.3575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5090 4.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8793 6.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5311 5.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8202 5.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9869 4.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2129 4.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2777 4.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1109 5.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1755 6.0295 0.0000 C 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 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 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 27 1 1 0 0 39 34 1 6 0 0 40 35 1 6 0 0 41 36 1 1 0 0 28 18 1 1 0 0 52 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 0 0 0 52 53 1 6 0 0 49 44 1 6 0 0 50 45 1 6 0 0 51 46 1 1 0 0 58 64 1 0 0 0 63 57 1 0 0 0 57 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 0 0 0 63 64 1 1 0 0 59 46 1 1 0 0 60 54 1 6 0 0 61 55 1 1 0 0 62 56 1 6 0 0 48 19 1 1 0 0 M END > LMPK12112252 > Quercetin 3-glucosyl-(1->4)-rhamnoside-7-rutinoside > > C39H50O25 > 918.26 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > QLLBJLPRDZPFEQ-UKWPXNKTSA-N > InChI=1S/C39H50O25/c1-10-21(44)25(48)29(52)36(57-10)56-9-19-23(46)27(50)30(53)38(62-19)59-13-6-16(43)20-17(7-13)60-34(12-3-4-14(41)15(42)5-12)35(24(20)47)64-37-32(55)28(51)33(11(2)58-37)63-39-31(54)26(49)22(45)18(8-40)61-39/h3-7,10-11,18-19,21-23,25-33,36-46,48-55H,8-9H2,1-2H3/t10-,11-,18+,19+,21-,22+,23+,25+,26-,27-,28-,29+,30+,31+,32+,33-,36+,37-,38+,39-/m0/s1 > C1C=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@H](C)O2)C(=O)C2C(O)=CC(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)=CC=2O1 > - > - > - > - > - > - > 165366128 > - > - > - > - > - > 33090 > - $$$$