LMPK12110765 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 15.3340 8.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3994 9.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4649 8.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4649 7.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3994 7.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3340 7.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5302 9.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 8.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 7.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5302 7.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7509 9.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5302 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3994 6.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3566 9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2913 8.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2257 9.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2257 10.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2913 11.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3566 10.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0305 10.9564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0815 8.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9393 9.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3894 7.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5036 6.6700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9846 7.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0458 9.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4788 9.4361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8107 8.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6299 7.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6842 7.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9249 8.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1056 9.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3461 9.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7605 10.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7606 12.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4913 13.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3607 10.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0455 13.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4925 10.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6259 10.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6273 11.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4926 12.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3592 11.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2246 12.2432 0.0000 C 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 16 21 1 0 0 0 0 21 22 1 0 0 0 0 27 33 1 0 0 0 32 26 1 0 0 0 26 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 0 0 0 32 33 1 1 0 0 28 11 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 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 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 39 7 1 1 0 0 M END > LMPK12110765 > Chrysoeriol 7-O-8-C-bisglucoside > > C28H32O16 > 624.17 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Knautoside > GVJBNBZWSMBQGX-QQUSBYFVSA-N > InChI=1S/C28H32O16/c1-40-14-4-9(2-3-10(14)31)13-5-11(32)18-12(33)6-15(43-28-25(39)23(37)21(35)17(8-30)44-28)19(26(18)41-13)27-24(38)22(36)20(34)16(7-29)42-27/h2-6,16-17,20-25,27-31,33-39H,7-8H2,1H3/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28-/m1/s1 > C1(C2C=CC(O)=C(OC)C=2)=CC(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C=2O1 > - > - > - > - > - > - > 102153744 > - > - > - > - > - > 33090 > - $$$$