LMPK12113190 LIPID_MAPS_STRUCTURE_DATABASE 47 51 0 0 0 0 0 0 0 0999 V2000 7.4169 11.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4169 10.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 10.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1905 10.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1905 11.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 12.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0774 10.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9641 10.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9641 11.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0774 12.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0774 8.9843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8510 12.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7549 11.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6588 12.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6588 13.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7549 13.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8510 13.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 8.9843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5456 13.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5300 12.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8310 10.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 13.0803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7549 14.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1177 13.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3812 15.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5600 9.0595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5459 7.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8314 6.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9911 8.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2980 6.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8511 9.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7027 8.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6943 7.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8372 7.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9856 7.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1283 7.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2771 10.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9804 9.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9640 7.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4048 7.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1739 5.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4103 8.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2689 9.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1220 8.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1137 7.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2552 7.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2469 6.0894 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 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 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 6 22 1 0 0 0 0 16 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 30 36 1 0 0 0 35 29 1 0 0 0 29 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 1 0 0 32 26 1 6 0 0 33 27 1 1 0 0 34 28 1 6 0 0 41 47 1 0 0 0 46 40 1 0 0 0 40 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 1 0 0 42 26 1 1 0 0 43 37 1 6 0 0 44 38 1 1 0 0 45 39 1 6 0 0 31 21 1 1 0 0 M END > LMPK12113190 > Limocitrin 3-sophoroside > 3,5,7,4'-Tetrahydroxy-8,3'-dimethoxyflavon 3-glucosyl-(1->2)-glucoside > C29H34O18 > 670.17 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > XVMFKSYZWYZRFY-FKFRMDLYSA-N > InChI=1S/C29H34O18/c1-41-13-5-9(3-4-10(13)32)23-26(19(37)16-11(33)6-12(34)24(42-2)25(16)45-23)46-29-27(21(39)18(36)15(8-31)44-29)47-28-22(40)20(38)17(35)14(7-30)43-28/h3-6,14-15,17-18,20-22,27-36,38-40H,7-8H2,1-2H3/t14-,15-,17-,18-,20+,21+,22-,27-,28+,29+/m1/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](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 14017572 > - > - > - > - > - > 33090; 13626 > - $$$$