LMPK12110443 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 13.5046 -4.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5858 -4.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6671 -4.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6671 -5.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5858 -6.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5046 -5.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7486 -4.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8298 -4.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8298 -5.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7486 -6.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9996 -4.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7486 -7.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5858 -7.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5098 -4.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4283 -4.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3471 -4.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3471 -3.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4283 -2.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5098 -3.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1382 -2.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9841 -3.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7404 -7.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0069 -8.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2787 -7.8972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0067 -5.8956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5158 -6.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8763 -6.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8763 -7.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0067 -7.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1428 -7.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1428 -6.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2787 -5.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2593 -5.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5330 -4.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5496 -2.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1435 -2.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3504 -0.9405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 -3.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2677 -4.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 -3.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4115 -2.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2816 -2.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2899 -1.2842 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 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 27 9 1 1 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 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 1 0 0 38 11 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 M END > LMPK12110443 > Isocytisoside 7-O-glucoside > > C28H32O15 > 608.17 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > QRQNIQMEGHMTGW-JFECCKQBSA-N > InChI=1S/C28H32O15/c1-39-11-4-2-10(3-5-11)13-6-12(31)18-14(40-13)7-15(42-28-26(38)24(36)21(33)17(9-30)43-28)19(22(18)34)27-25(37)23(35)20(32)16(8-29)41-27/h2-7,16-17,20-21,23-30,32-38H,8-9H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26-,27+,28-/m1/s1 > C1(C2C=CC(OC)=CC=2)=CC(=O)C2C(O)=C([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2O1 > - > - > - > - > - > - > 102147933 > - > - > - > - > - > 33090 > - $$$$