LMPK12111733 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 7.5520 13.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 12.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3715 12.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1911 12.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1911 13.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3715 14.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 12.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8300 12.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8300 13.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 14.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 11.6183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6494 14.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4845 13.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3198 14.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3198 15.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4845 15.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6494 15.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3715 11.4102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 14.2486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1548 15.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6919 12.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4181 11.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4038 9.1246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6661 8.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8145 10.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1120 8.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6861 11.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5492 10.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5407 9.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6719 9.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8089 9.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9400 9.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5633 10.7559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5561 10.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3850 8.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8169 8.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3980 9.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9777 9.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9765 9.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3908 8.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8110 8.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2254 7.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 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 12 1 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 21 8 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 27 21 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 41 36 1 0 0 0 36 37 1 0 0 0 37 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 6 0 0 37 23 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 M END > LMPK12111733 > Kaempferol 3-rungioside > > C27H30O15 > 594.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > YFPYXTNSQOUHPS-NIILUQFKSA-N > InChI=1S/C27H30O15/c1-9-17(32)20(35)21(36)26(38-9)41-24-18(33)15(8-28)40-27(22(24)37)42-25-19(34)16-13(31)6-12(30)7-14(16)39-23(25)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,24,26-33,35-37H,8H2,1H3/t9-,15+,17-,18+,20+,21+,22+,24-,26-,27-/m0/s1 > C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > 139411 > - > - > - > 23815431 > - > - > - > - > - > 33090; 141330 > - $$$$