LMPK12112160 LIPID_MAPS_STRUCTURE_DATABASE 68 74 0 0 0 0 0 0 0 0999 V2000 7.5731 -5.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5731 -6.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -6.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4146 -6.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4146 -5.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -4.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3352 -6.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2560 -6.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2560 -5.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3352 -4.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3352 -7.6053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1764 -4.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1147 -5.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0531 -4.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0531 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1147 -3.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1764 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9911 -3.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9082 -6.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -7.8391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1147 -1.9419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8028 -6.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1332 -6.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6422 -6.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8366 -5.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5619 -5.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2004 -6.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0727 -6.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3065 -5.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6680 -4.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7957 -4.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1769 -4.9015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6335 -6.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7359 -6.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9936 -7.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2567 -6.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9935 -4.6980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4899 -5.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8674 -5.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8674 -6.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9935 -6.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1251 -6.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1251 -5.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2567 -4.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7028 -4.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4406 -8.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0673 -10.1725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1724 -10.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7793 -8.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6405 -10.5280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7304 -7.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4931 -8.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3047 -9.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3573 -9.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5947 -9.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6472 -9.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3148 -7.5132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8559 -8.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5049 -10.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0205 -9.8385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4882 -11.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1942 -8.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1392 -8.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9108 -9.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 -10.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7902 -10.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6147 -11.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1592 -7.7960 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 15 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 28 33 1 0 0 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 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 1 45 1 0 0 0 39 45 1 1 0 0 50 56 1 0 0 0 55 49 1 0 0 0 49 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 1 0 0 52 46 1 6 0 0 53 47 1 1 0 0 54 48 1 6 0 0 61 67 1 0 0 0 66 60 1 0 0 0 60 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 1 0 0 63 57 1 6 0 0 64 58 1 1 0 0 65 59 1 6 0 0 62 46 1 1 0 0 22 57 1 0 0 0 0 51 19 1 1 0 0 33 68 1 0 0 0 M END > LMPK12112160 > Quercetin 3-[2'''-(E)-caffeylsophoroside]-7-glucoside > 3,5,7,3',4'-Pentahydroxyflavone 3-[2"'-(E)-caffeylsophoroside]-7-glucoside > C43H48O25 > 964.25 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > CBQWFAOISQNPIK-KJMRRCPRSA-N > InChI=1S/C43H48O25/c1-60-22-8-15(2-5-19(22)48)3-7-27(51)66-39-34(57)30(53)25(13-45)64-42(39)68-40-35(58)31(54)26(14-46)65-43(40)67-38-32(55)28-21(50)10-17(61-41-36(59)33(56)29(52)24(12-44)63-41)11-23(28)62-37(38)16-4-6-18(47)20(49)9-16/h2-11,24-26,29-31,33-36,39-50,52-54,56-59H,12-14H2,1H3/b7-3+/t24-,25-,26-,29-,30-,31-,33+,34+,35+,36-,39-,40-,41-,42+,43+/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]4[C@H](OC(/C=C/C5C=CC(O)=C(OC)C=5)=O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > HMDB0040842 > - > - > - > - > 44259208 > - > - > - > - > - > 33090; 3445 > - $$$$