LMPK12110434 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 13.4796 -4.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5609 -3.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6421 -4.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6421 -5.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5609 -5.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4796 -5.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7236 -3.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8049 -4.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8049 -5.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7236 -5.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9746 -3.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7236 -6.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5609 -6.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4848 -3.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4033 -4.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3222 -3.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3222 -2.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4033 -1.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4848 -2.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1133 -1.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9592 -2.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7154 -7.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9819 -8.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2538 -7.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9817 -5.1956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4909 -5.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8514 -5.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8514 -6.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9817 -7.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1178 -6.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1178 -5.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2538 -5.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5913 -7.8948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -9.8685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3844 -11.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1110 -8.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8492 -11.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8831 -8.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8210 -8.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9869 -9.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2167 -10.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2788 -9.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5086 -10.4415 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 22 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 M END > LMPK12110434 > Isocytisoside 2''-O-glucoside > > C28H32O15 > 608.17 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > SOCPNUFNLVWPOH-ODEMIOGVSA-N > InChI=1S/C28H32O15/c1-39-11-4-2-10(3-5-11)14-6-12(31)18-15(40-14)7-13(32)19(22(18)35)26-27(24(37)21(34)16(8-29)41-26)43-28-25(38)23(36)20(33)17(9-30)42-28/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]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(O)=CC=2O1 > - > - > - > - > - > - > 102147932 > - > - > - > - > - > 33090 > - $$$$