LMPK12110866 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 14.3085 8.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3085 7.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1481 7.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9879 7.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9879 8.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1481 9.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8276 7.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6672 7.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6672 8.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8276 9.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8324 6.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5067 9.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3623 8.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2185 9.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2185 10.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3623 10.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5067 10.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1481 6.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0674 10.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6136 9.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0939 8.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3702 11.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1735 12.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0939 8.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6381 7.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9302 6.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2275 7.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9301 9.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3364 8.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7869 8.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7869 7.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9301 7.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0788 7.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0788 8.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2275 9.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3224 6.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6075 5.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9118 6.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6284 8.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4816 8.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4746 7.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6143 6.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 7.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7736 8.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9259 8.9546 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 3 18 1 0 0 0 0 15 19 1 0 0 0 0 20 1 1 0 0 0 0 16 22 1 0 0 0 0 14 21 1 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 29 35 1 0 0 0 34 28 1 0 0 0 28 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 1 0 0 31 25 1 6 0 0 32 26 1 1 0 0 33 27 1 6 0 0 44 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 0 0 0 43 44 1 0 0 0 44 45 1 6 0 0 40 29 1 1 0 0 41 36 1 6 0 0 42 37 1 6 0 0 43 38 1 1 0 0 30 20 1 1 0 0 M END > LMPK12110866 > Tricin 7-rutinoside > > C29H34O16 > 638.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > XQKBGHNKHIYCQA-NLHBWZQLSA-N > InChI=1S/C29H34O16/c1-10-21(32)24(35)26(37)28(42-10)41-9-19-23(34)25(36)27(38)29(45-19)43-12-6-13(30)20-14(31)8-15(44-16(20)7-12)11-4-17(39-2)22(33)18(5-11)40-3/h4-8,10,19,21,23-30,32-38H,9H2,1-3H3/t10-,19+,21-,23+,24+,25-,26+,27+,28+,29+/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)=CC2OC(C3C=C(OC)C(O)=C(OC)C=3)=CC(=O)C=2C(O)=C1 > - > - > - > - > - > - > 100925474 > - > - > - > - > - > 33090 > - $$$$