LMPK12110719 LIPID_MAPS_STRUCTURE_DATABASE 70 76 0 0 0 999 V2000 16.8920 14.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8920 13.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8103 12.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7287 13.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7287 14.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8103 14.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9739 12.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0554 13.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1370 12.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1370 11.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0554 10.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9739 11.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2189 13.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3005 12.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3005 11.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2189 10.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0554 10.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4072 13.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2189 10.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6354 14.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4670 12.6290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2590 8.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7627 8.0755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0806 8.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6093 8.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4846 8.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0148 7.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0752 7.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6053 8.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0752 9.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0148 9.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4307 8.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4967 6.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1405 5.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 11.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0717 12.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5572 14.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1945 14.2486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9753 15.5522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4555 13.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7479 12.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7791 12.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5221 13.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2296 14.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9725 15.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6136 16.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7005 9.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4137 8.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4475 8.5779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3869 11.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2675 9.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3751 10.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7173 9.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0714 9.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0884 9.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7462 10.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7630 10.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3385 11.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9328 16.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9015 15.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5689 13.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9556 13.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2720 12.3862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6178 14.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2664 15.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2530 15.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5865 14.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9379 13.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2716 12.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6939 11.5716 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 > > 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 > - $$$$