LMPK12110503 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 0 0 0 0 0999 V2000 6.9074 10.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6306 9.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4959 8.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8280 9.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5513 8.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3572 9.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7354 9.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6270 9.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1403 9.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7620 8.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8705 8.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0314 9.2829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8971 13.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8971 12.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8113 11.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7256 12.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7256 13.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8113 14.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6399 11.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5541 12.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5541 13.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6399 14.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6399 11.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1748 13.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8113 11.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5699 14.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5334 13.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4967 14.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4967 15.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5334 15.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5699 15.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4598 15.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4598 13.5644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2711 9.6640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6389 10.6090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 12.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9184 11.8880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0922 12.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0922 11.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 10.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4550 11.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4550 12.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6389 12.4993 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 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 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 11 2 0 0 0 0 11 6 1 0 0 0 0 9 12 1 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 18 1 0 0 0 0 18 13 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 19 23 2 0 0 0 0 13 24 1 0 0 0 0 15 25 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 26 21 1 0 0 0 0 29 32 1 0 0 0 0 28 33 1 0 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 40 34 1 1 0 0 41 35 1 6 0 0 38 14 1 1 0 0 39 1 1 6 0 0 M END > LMPK12110503 > Isoorientin 2''-O-(E)-p-coumarate > 5,7,3',4'-Tetrahydroxyflavone 6-C-(2"-p-coumaryl-glucoside) > C30H26O13 > 594.14 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > QOUGAWSKIQDRKY-IBHHXLGYSA-N > InChI=1S/C30H26O13/c31-12-22-26(38)28(40)30(43-23(37)8-3-13-1-5-15(32)6-2-13)29(42-22)25-19(36)11-21-24(27(25)39)18(35)10-20(41-21)14-4-7-16(33)17(34)9-14/h1-11,22,26,28-34,36,38-40H,12H2/b8-3+/t22-,26-,28+,29+,30-/m1/s1 > O([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1C1=C(O)C2C(=O)C=C(C3C=CC(O)=C(O)C=3)OC=2C=C1O)C(/C=C/C1C=CC(O)=CC=1)=O > - > - > - > - > - > - > 101429565 > - > - > - > - > - > 33090; 21496 > - $$$$