LMPK12110719 LIPID_MAPS_STRUCTURE_DATABASE 70 76 0 0 0 0 0 0 0 0999 V2000 16.8563 14.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8563 13.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7726 12.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6891 13.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6891 14.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7726 14.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9401 12.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0236 13.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1071 12.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1071 11.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0236 10.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9401 11.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1909 13.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2745 12.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2745 11.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1909 10.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0236 9.9903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3831 13.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1909 10.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5939 14.6008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4258 12.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2352 8.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7399 8.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0551 8.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5826 8.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4561 8.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9852 7.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0433 7.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5723 8.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0433 9.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9852 9.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3960 8.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4639 6.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1085 5.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9840 11.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0546 12.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5412 14.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1729 14.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9584 15.5193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4334 13.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7273 12.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7605 12.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5041 13.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2101 14.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9535 15.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5933 16.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6779 9.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3938 8.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4318 8.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3692 11.0264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 9.5693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3553 10.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6968 9.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0522 9.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0713 9.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7298 10.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7487 10.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3251 11.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8885 16.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8531 15.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5191 13.8825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9113 13.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2228 12.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5742 14.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2214 15.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2059 15.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5387 14.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8915 13.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2245 12.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6480 11.5471 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 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 16 19 1 0 0 0 0 5 20 1 0 0 0 0 4 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 33 34 1 0 0 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 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 0 0 0 44 45 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 45 46 2 0 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 57 58 2 0 0 0 52 35 1 1 0 0 40 18 1 1 0 0 47 22 1 0 0 0 0 63 69 1 0 0 0 68 62 1 0 0 0 62 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 1 0 0 64 20 1 1 0 0 65 59 1 6 0 0 66 60 1 1 0 0 67 61 1 6 0 0 69 70 2 0 0 0 M END > LMPK12110719 > Luteorin 7-(2''-feruloylglucuronosyl)-(1->2)-glucuronide-4'-glucuronide > 2-[4-(beta-D-Glucopyranuronosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid > C43H42O27 > 990.19 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > SPAFPIYZLSWKDV-DQFLPRRMSA-N > InChI=1S/C43H42O27/c1-62-22-8-13(2-5-16(22)44)3-7-24(48)66-36-30(53)28(51)35(40(60)61)69-43(36)70-37-31(54)29(52)34(39(58)59)68-42(37)63-15-10-18(46)25-19(47)12-21(64-23(25)11-15)14-4-6-20(17(45)9-14)65-41-32(55)26(49)27(50)33(67-41)38(56)57/h2-12,26-37,41-46,49-55H,1H3,(H,56,57)(H,58,59)(H,60,61)/b7-3+/t26-,27-,28-,29-,30-,31-,32+,33-,34-,35-,36+,37+,41+,42+,43-/m0/s1 > C1C=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)C(O)=CC=1C1=CC(=O)C2C(O)=CC(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](C(=O)O)O4)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O3)=CC=2O1 > - > - > - > - > - > - > 15478943 > - > - > - > - > - > 33090; 3879 > 11262024 $$$$