LMPK12110277 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 9.4013 10.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4172 11.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5379 12.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6426 11.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6266 10.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5060 10.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4901 9.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 10.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7644 12.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3113 12.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3272 13.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1895 11.5494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0050 10.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0050 9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8631 8.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7213 9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7213 10.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8631 10.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5795 8.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4377 9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4377 10.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5795 10.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5795 7.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1471 10.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8631 7.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3910 10.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2953 10.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1998 10.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1998 11.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2953 12.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3910 11.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1034 12.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1466 13.5064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8773 14.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7467 12.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4315 14.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8786 11.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0120 12.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0134 13.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8787 13.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7453 13.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6106 13.5020 0.0000 C 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 6 7 1 0 0 0 0 5 8 1 0 0 0 0 4 9 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 10 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 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 39 33 1 1 0 0 40 34 1 6 0 0 37 18 1 1 0 0 38 12 1 6 0 0 M END > LMPK12110277 > Vitexin 2''-O-gallate > > C28H24O14 > 584.12 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > JIWNHMGTDGWOEF-OQHNQDISSA-N > InChI=1S/C28H24O14/c29-9-19-23(37)24(38)27(42-28(39)11-5-16(34)22(36)17(35)6-11)26(41-19)21-14(32)7-13(31)20-15(33)8-18(40-25(20)21)10-1-3-12(30)4-2-10/h1-8,19,23-24,26-27,29-32,34-38H,9H2/t19-,23-,24+,26+,27-/m1/s1 > C1C(O)=C(O)C(O)=CC=1C(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1C1=C(O)C=C(O)C2C(=O)C=C(C3C=CC(O)=CC=3)OC=21)=O > - > - > - > - > - > - > 11813924 > - > - > - > - > - > 33090 > - $$$$