LMPK12110277 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 0 0 0 0 0999 V2000 9.3573 10.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3731 11.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4979 12.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6068 11.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5909 10.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4662 10.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4503 8.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7011 10.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7327 12.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2630 12.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2788 13.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1371 11.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9488 10.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9488 9.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8028 8.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6570 9.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6570 10.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8028 10.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5112 8.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3654 9.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3654 10.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5112 10.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5112 7.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0949 10.5201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8028 7.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3142 10.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2143 10.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1145 10.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1145 11.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2143 12.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3142 11.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0139 12.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0944 13.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8170 14.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6823 11.9492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3639 14.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8183 11.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9557 11.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9571 12.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8184 13.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6809 12.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5422 13.4387 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 > 2-(4-Hydroxyphenyl)-5,7-dihydroxy-8-[2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]-4H-1-benzopyran-4-one > 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; 39993 > - $$$$