LMPK12111941 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 12.5766 17.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5766 16.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4918 15.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4069 16.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4069 17.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4918 17.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6617 15.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7465 16.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8314 15.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8314 14.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7465 13.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6617 14.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9165 16.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0013 15.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0013 14.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9165 13.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7465 13.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0862 16.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4382 14.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1762 17.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9165 13.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9275 11.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2343 11.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7416 10.1912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3677 11.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8951 10.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9090 10.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3807 9.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3241 9.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7957 10.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3241 11.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3807 11.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0355 10.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 8.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1643 13.0223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1501 11.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4124 10.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5607 12.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4324 13.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2954 12.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2870 11.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4181 11.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5551 11.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6862 11.0496 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 29 34 1 0 0 0 0 43 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 0 0 0 43 44 1 1 0 0 39 19 1 1 0 0 40 35 1 6 0 0 41 36 1 1 0 0 42 37 1 6 0 0 22 44 1 0 0 0 M END > LMPK12111941 > Kaempferol 3-(6''-caffeoylglucoside) > > C30H26O14 > 610.13 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > GZORMMCZSCNNCI-QPFSIERHSA-N > InChI=1S/C30H26O14/c31-15-5-3-14(4-6-15)28-29(25(38)23-19(35)10-16(32)11-20(23)42-28)44-30-27(40)26(39)24(37)21(43-30)12-41-22(36)8-2-13-1-7-17(33)18(34)9-13/h1-11,21,24,26-27,30-35,37,39-40H,12H2/b8-2+/t21-,24-,26+,27-,30+/m1/s1 > C1C=C(O)C=CC=1C1=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3C=CC(O)=C(O)C=3)=O)O2)C(=O)C2C(O)=CC(O)=CC=2O1 > - > - > - > - > - > - > 15516397 > - > - > - > - > - > 33090 > - $$$$