LMPK12113321 LIPID_MAPS_STRUCTURE_DATABASE 48 52 0 0 0 999 V2000 7.8701 11.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8701 10.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7085 10.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5469 10.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5469 11.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7085 12.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3853 10.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2237 10.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2237 11.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3853 12.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3853 9.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0781 12.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9326 11.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7870 12.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7870 13.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9325 13.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0781 13.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0156 12.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6416 13.5073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9464 10.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7085 9.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7085 13.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9325 14.4939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0156 10.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4515 13.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 10.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6248 14.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6251 9.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4505 7.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6397 6.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9911 8.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0928 6.3174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8999 9.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7196 8.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6308 7.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7254 7.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9057 7.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0002 7.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2727 10.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0807 9.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2381 7.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6094 7.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5277 8.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3513 9.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2570 8.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3356 7.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5119 7.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5906 6.1516 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 21 1 0 0 0 0 6 22 1 0 0 0 0 16 23 1 0 0 0 0 2 24 1 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 32 38 1 0 0 0 37 31 1 0 0 0 31 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 1 0 0 34 28 1 6 0 0 35 29 1 1 0 0 36 30 1 6 0 0 47 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 6 0 0 43 28 1 1 0 0 44 39 1 6 0 0 45 40 1 6 0 0 46 41 1 1 0 0 33 20 1 1 0 0 M END > LMPK12113321 > Limocitrol 3-neohesperidoside > > C30H36O18 > 684.19 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > JVQRCEFGFJTAPU-HGSLXISUSA-N > InChI=1S/C30H36O18/c1-9-15(33)19(37)21(39)29(44-9)48-28-20(38)16(34)13(8-31)45-30(28)47-27-18(36)14-17(35)25(42-3)22(40)26(43-4)24(14)46-23(27)10-5-6-11(32)12(7-10)41-2/h5-7,9,13,15-16,19-21,28-35,37-40H,8H2,1-4H3/t9-,13+,15-,16+,19+,20-,21+,28+,29-,30-/m0/s1 > C1(O)=C(OC)C2OC(C3C=C(OC)C(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1OC > - > - > - > - > - > - > 102278462 > - > - > - > - > - > 33090 > - $$$$