LMPK12113412 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 9.6802 11.7311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4901 16.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4782 16.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4901 17.6463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2015 17.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1894 16.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4542 15.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4422 15.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1655 16.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9008 17.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9127 17.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7690 15.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4965 14.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5060 14.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2333 13.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9529 12.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9434 12.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7879 15.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2429 13.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2145 13.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4779 10.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6613 12.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 9.3054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2148 13.7709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6575 14.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7600 13.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6575 13.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5551 13.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5551 12.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6575 11.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7600 12.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9988 9.5272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9988 12.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8795 11.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8795 10.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9988 10.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 12.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1182 11.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1182 10.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 10.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3567 10.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3567 11.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7124 16.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6118 10.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 2 4 2 0 0 0 3 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 6 1 0 0 0 16 1 1 6 0 0 14 18 1 6 0 0 15 19 1 1 0 0 13 12 1 1 0 0 14 13 1 0 0 0 15 14 1 0 0 0 16 15 1 0 0 0 17 16 1 0 0 0 20 17 1 0 0 0 13 20 1 0 0 0 17 22 1 1 0 0 41 21 1 0 0 0 0 42 22 1 0 0 0 0 40 23 1 0 0 0 0 24 28 1 0 0 0 0 27 25 1 0 0 0 0 26 31 1 0 0 0 0 27 26 2 0 0 0 0 28 27 1 0 0 0 0 29 28 2 0 0 0 0 30 29 1 0 0 0 0 31 30 2 0 0 0 0 34 31 1 0 0 0 0 36 32 2 0 0 0 0 33 38 1 0 0 0 0 34 33 1 0 0 0 0 35 34 2 0 0 0 0 36 35 1 0 0 0 0 39 36 1 0 0 0 0 37 42 2 0 0 0 0 38 37 1 0 0 0 0 39 38 2 0 0 0 0 40 39 1 0 0 0 0 41 40 2 0 0 0 0 42 41 1 0 0 0 0 12 43 1 0 0 0 2 43 1 0 0 0 21 44 1 0 0 0 M END > LMPK12113412 > Rhaunoside E > Nepetin-7-O-(6''-O-cinnamoyl)-beta-D-glucopyranoside > C31H28O13 > 608.15 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > ZWOQEVNGJZMMIP-MGJHOZTBSA-N > InChI=1S/C31H28O13/c1-40-30-22(13-21-25(27(30)37)19(34)12-20(42-21)16-8-9-17(32)18(33)11-16)43-31-29(39)28(38)26(36)23(44-31)14-41-24(35)10-7-15-5-3-2-4-6-15/h2-13,23,26,28-29,31-33,36-39H,14H2,1H3/b10-7+/t23-,26-,28+,29-,31-/m1/s1 > O[C@H]1[C@H](OC2C(=C(C3=C(C=2)OC(=CC3=O)C2=CC=C(C(=C2)O)O)O)OC)O[C@@H]([C@H]([C@@H]1O)O)COC(=O)/C=C/C1C=CC=CC=1 > - > - > - > - > - > - > 171117868 > - > - > - > - > - > 362646 > - $$$$