LMPK12110379 LIPID_MAPS_STRUCTURE_DATABASE 53 58 0 0 0 999 V2000 13.5646 12.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5646 11.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4211 10.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2775 11.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2775 12.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4211 12.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1338 10.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9902 11.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9902 12.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1338 12.5587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1338 9.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8463 12.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7190 12.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5917 12.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5917 13.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7190 14.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8463 13.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7086 12.5586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4643 14.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4211 9.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7379 13.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5078 14.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8604 14.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5112 14.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5765 15.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2960 15.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1172 15.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0258 15.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1131 16.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2920 17.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3835 16.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0206 16.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6774 9.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2022 9.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7224 9.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7224 8.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9653 7.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1293 8.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2933 7.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2933 6.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1293 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9653 6.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4576 6.2088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6945 10.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9538 9.5687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2328 10.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9750 12.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8410 12.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8339 11.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9608 10.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1004 11.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1075 12.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2469 12.5830 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 20 3 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 52 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 1 0 0 48 18 1 1 0 0 49 44 1 6 0 0 50 45 1 1 0 0 51 46 1 6 0 0 44 33 1 0 0 0 0 53 21 1 0 0 0 M END > LMPK12110379 > Apigenin 7-(2'',6''-di-p-coumarylglucoside) > > C39H32O14 > 724.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > GBBLNEWSFXZKJC-IGNRUKHTSA-N > InChI=1S/C39H32O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)37(48)38(53-34(46)16-6-22-3-11-25(41)12-4-22)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-19,32,36-43,47-48H,20H2/b15-5+,16-6+/t32-,36-,37+,38-,39-/m1/s1 > C1(O[C@H]2[C@H](OC(/C=C/C3C=CC(O)=CC=3)=O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3C=CC(O)=CC=3)=O)O2)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1 > - > - > - > - > - > - > 21721967 > - > - > - > - > - > 33090 > - $$$$