LMPK12110396 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 0 0 0 0 0999 V2000 12.7611 8.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7611 7.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6460 7.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5309 7.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5309 8.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6460 9.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4153 7.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3001 7.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3001 8.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4153 9.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1849 9.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0696 8.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9544 9.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9544 10.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0696 10.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1849 10.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4153 6.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6460 6.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8764 9.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8784 10.8766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0648 7.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1257 7.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8648 8.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1356 9.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6152 10.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7711 9.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4343 8.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4622 8.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8319 8.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1686 9.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5382 10.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7908 11.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4519 6.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9421 4.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0440 3.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8539 6.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5715 4.1456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8068 6.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5027 5.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2461 4.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2970 4.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6011 5.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6519 5.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4991 11.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2777 11.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4327 9.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8468 9.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7621 7.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7663 10.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5766 11.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4675 10.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5448 9.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7345 9.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8119 8.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0552 7.4451 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 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 25 31 1 0 0 0 30 24 1 0 0 0 24 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 1 0 0 27 21 1 6 0 0 28 22 1 1 0 0 29 23 1 6 0 0 31 32 2 0 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 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 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 38 21 1 1 0 0 26 19 1 1 0 0 48 54 1 0 0 0 53 47 1 0 0 0 47 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 1 0 0 49 20 1 1 0 0 50 44 1 6 0 0 51 45 1 1 0 0 52 46 1 6 0 0 54 55 2 0 0 0 M END > LMPK12110396 > Apigenin 7-Glucosyl-(1->2)-glucuronide-4'-glucuronide > 5,7,4'-Trihydroxyflavone 7-glucosyl-(1->2)-glucuronide-4'-glucuronide > C33H36O22 > 784.17 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > QHUYAVQUOQPHFT-MSCVPOETSA-N > InChI=1S/C33H36O22/c34-8-16-18(37)19(38)24(43)32(52-16)55-28-23(42)22(41)27(30(47)48)54-33(28)50-11-5-12(35)17-13(36)7-14(51-15(17)6-11)9-1-3-10(4-2-9)49-31-25(44)20(39)21(40)26(53-31)29(45)46/h1-7,16,18-28,31-35,37-44H,8H2,(H,45,46)(H,47,48)/t16-,18-,19+,20+,21+,22+,23+,24-,25-,26+,27+,28-,31-,32+,33-/m1/s1 > C1(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](C(=O)O)O2)C=C2OC(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O4)=CC=3)=CC(=O)C2=C(O)C=1 > - > - > - > - > - > - > 178335999 > - > - > - > - > - > 33090; 3879 > 11262024 $$$$