LMPK12112157 LIPID_MAPS_STRUCTURE_DATABASE 66 72 0 0 0 0 0 0 0 0999 V2000 9.2275 12.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2275 11.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1614 10.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0953 11.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0953 12.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1614 13.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0292 10.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9630 11.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9630 12.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0292 13.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0292 10.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8964 13.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8481 12.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7998 13.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7998 14.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8481 14.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8964 14.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4019 13.1492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7514 14.7973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6245 10.8789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1614 9.9146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8481 15.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2346 11.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7545 12.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1160 11.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4972 12.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2588 12.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7166 11.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6325 11.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0904 12.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6325 13.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7166 13.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0044 12.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8225 10.9448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9342 10.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5438 11.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5498 11.1824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4189 12.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8369 13.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3107 14.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4074 13.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9784 12.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9787 12.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4134 12.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 13.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2769 14.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1663 9.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8188 7.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9426 6.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5204 9.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4158 7.2528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4621 9.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2281 9.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0527 8.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1146 7.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3486 8.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4104 8.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5905 11.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5189 10.4899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0194 8.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3826 8.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1285 9.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8407 10.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8069 9.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0571 8.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3449 8.1197 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 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 21 1 0 0 0 0 16 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 29 34 1 0 0 0 0 34 35 1 0 0 0 0 40 46 1 0 0 0 45 39 1 0 0 0 39 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 1 0 0 41 18 1 1 0 0 42 36 1 6 0 0 43 37 1 1 0 0 44 38 1 6 0 0 51 57 1 0 0 0 56 50 1 0 0 0 50 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 0 0 0 56 57 1 1 0 0 53 47 1 6 0 0 54 48 1 1 0 0 55 49 1 6 0 0 66 61 1 0 0 0 61 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 62 47 1 1 0 0 63 58 1 6 0 0 64 59 1 1 0 0 65 60 1 6 0 0 52 20 1 1 0 0 23 58 1 0 0 0 0 M END > LMPK12112157 > Quercetin 3-(2'''-ferulylsambubioside)-7-glucoside > 3,5,7,3',4'-Pentahydroxyflavone 3-(2"'-ferulylsambubioside)-7-glucoside > C42H46O24 > 934.24 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > JAZBWZUFPUBNJK-PTYFQBCNSA-N > InChI=1S/C42H46O24/c1-58-23-8-15(2-5-19(23)46)3-7-27(50)64-38-29(51)22(49)14-59-41(38)66-39-34(56)31(53)26(13-44)63-42(39)65-37-32(54)28-21(48)10-17(60-40-35(57)33(55)30(52)25(12-43)62-40)11-24(28)61-36(37)16-4-6-18(45)20(47)9-16/h2-11,22,25-26,29-31,33-35,38-49,51-53,55-57H,12-14H2,1H3/b7-3+/t22-,25-,26-,29+,30-,31-,33+,34+,35-,38-,39-,40-,41+,42+/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)CO4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 178336172 > - > - > - > - > - > 33090; 3445 > - $$$$