LMPK12110450 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 12.4793 9.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4793 8.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3236 8.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1678 8.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1678 9.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3236 10.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0121 8.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 8.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 9.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0121 10.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0121 7.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7003 10.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5607 9.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4210 10.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4210 11.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5607 11.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7003 11.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6353 10.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3236 7.4335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0947 11.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8287 11.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8204 8.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7839 8.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6162 9.7645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0794 10.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4945 11.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6684 10.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2366 9.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2156 9.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6321 9.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0640 10.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4802 11.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2555 6.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7379 4.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5596 7.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5507 7.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2683 6.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9947 5.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0076 5.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2902 6.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3029 5.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7123 4.8441 0.0000 O 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 1 18 1 0 0 0 0 19 3 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 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 0 0 0 31 32 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 40 35 1 0 0 0 35 36 1 0 0 0 36 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 6 0 0 36 22 1 1 0 0 37 33 1 6 0 0 39 34 1 1 0 0 38 42 1 6 0 0 27 18 1 1 0 0 M END > LMPK12110450 > Acacetin 7-neohesperidoside > > C28H32O14 > 592.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > MLWDGPFGTFOLRJ-CUVHLRMHSA-N > InChI=1S/C28H32O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-30,32-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1 > C1(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(O)=C1 > - > - > - > - > - > - > 5317385 > - > - > - > - > - > 33090 > - $$$$