LMPK12110407 LIPID_MAPS_STRUCTURE_DATABASE 67 73 0 0 0 0 0 0 0 0999 V2000 11.0349 13.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0349 12.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9025 11.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7701 12.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7701 13.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9025 13.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6378 11.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5055 12.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5055 13.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6378 13.7033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3730 13.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2407 13.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1086 13.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1086 14.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2407 15.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3730 14.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6378 10.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9025 10.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0147 15.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1610 13.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9982 17.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4817 16.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9821 17.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5569 16.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5302 16.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0522 17.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0507 17.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5272 16.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0051 15.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0066 15.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5270 16.2729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4936 11.6562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9557 10.3843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0904 11.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4567 13.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1154 12.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 12.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5610 12.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7892 11.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8568 11.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6905 12.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7579 13.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6574 16.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4600 15.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6171 13.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9961 13.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9375 12.1275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9146 14.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7359 15.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6389 14.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7173 13.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8960 13.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9745 12.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5245 18.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3808 19.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3656 19.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0803 17.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7583 19.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0834 17.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5170 18.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9473 18.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9397 19.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5061 18.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4985 18.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5047 14.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2075 11.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1355 17.5541 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 14 19 1 0 0 0 0 20 1 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 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 25 1 0 0 0 0 28 31 1 0 0 0 0 36 42 1 0 0 0 41 35 1 0 0 0 35 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 1 0 0 37 20 1 1 0 0 38 32 1 6 0 0 39 33 1 1 0 0 40 34 1 6 0 0 47 53 1 0 0 0 52 46 1 0 0 0 46 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 1 0 0 48 19 1 1 0 0 49 43 1 6 0 0 50 44 1 1 0 0 51 45 1 6 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 43 1 1 0 0 60 54 1 6 0 0 61 55 1 1 0 0 62 56 1 6 0 0 54 21 1 0 0 0 0 42 65 2 0 0 0 53 66 2 0 0 0 64 67 2 0 0 0 M END > LMPK12110407 > Apigenin 7-glucuronide-4'-(2'''-E-p-coumaroylglucuronosyl)-(1->2)-glucuronide > 4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl 2-O-[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid > C42H40O25 > 944.19 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > KZBJNNPIVYBZOA-LCIITMGDSA-N > InChI=1S/C42H40O25/c43-16-6-1-14(2-7-16)3-10-23(46)63-35-29(51)27(49)34(39(58)59)66-42(35)67-36-30(52)28(50)33(38(56)57)65-41(36)60-17-8-4-15(5-9-17)21-13-20(45)24-19(44)11-18(12-22(24)62-21)61-40-31(53)25(47)26(48)32(64-40)37(54)55/h1-13,25-36,40-44,47-53H,(H,54,55)(H,56,57)(H,58,59)/b10-3+/t25-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35+,36+,40+,41+,42-/m0/s1 > C1(O[C@H]2[C@H](O)[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]5[C@H](OC(/C=C/C6C=CC(O)=CC=6)=O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O5)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O4)=CC=3)=CC(=O)C2=C(O)C=1 > - > - > - > - > - > - > 162984507 > - > - > - > - > - > 33090; 3879 > - $$$$