LMPK12110326 LIPID_MAPS_STRUCTURE_DATABASE 54 59 0 0 0 999 V2000 14.6361 3.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7049 3.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7735 3.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7735 2.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7049 1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6361 2.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8423 3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9109 3.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9421 2.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8423 1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0280 3.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8423 0.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7049 0.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6551 3.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5865 3.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5179 3.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5179 4.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5865 5.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6551 4.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3198 5.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1068 0.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4671 -0.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6582 -0.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2053 2.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7802 1.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1152 1.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2024 0.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3797 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4754 0.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3882 1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4838 1.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2877 2.7691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5613 3.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5780 5.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1718 5.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3787 7.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1662 4.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2961 3.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4314 4.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4398 5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3099 5.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3183 6.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8337 8.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3552 8.9179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7908 8.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2694 7.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2263 7.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 8.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 8.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1378 7.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 6.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 6.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0948 7.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 8.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 6 1 2 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 5 13 2 0 0 0 0 1 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 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 25 31 1 0 0 0 30 24 1 0 0 0 24 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 1 0 0 27 21 1 6 0 0 28 22 1 1 0 0 29 23 1 6 0 0 26 9 1 1 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 11 1 1 0 0 38 32 1 6 0 0 39 33 1 1 0 0 40 34 1 6 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 47 1 0 0 0 0 50 53 1 0 0 0 0 49 54 1 0 0 0 0 36 43 1 0 0 0 0 M END > LMPK12110326 > Isovitexin 7-O-(6'''-caffeoyl)-beta-D-glucopyranoside > > C36H36O18 > 756.19 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > DPXQMYRXAMWBGO-AMVARPIISA-N > InChI=1S/C36H36O18/c37-12-23-28(43)31(46)33(48)35(52-23)27-22(11-21-26(30(27)45)19(41)10-20(51-21)15-3-5-16(38)6-4-15)53-36-34(49)32(47)29(44)24(54-36)13-50-25(42)8-2-14-1-7-17(39)18(40)9-14/h1-11,23-24,28-29,31-40,43-49H,12-13H2/b8-2+/t23-,24-,28-,29-,31+,32+,33-,34-,35+,36-/m1/s1 > C1(C2C=CC(O)=CC=2)=CC(=O)C2C(O)=C([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4C=CC(O)=C(O)C=4)=O)O3)=CC=2O1 > - > - > - > - > - > - > 44257782 > - > - > - > - > - > 33090 > - $$$$