LMPK12112015 LIPID_MAPS_STRUCTURE_DATABASE 58 63 0 0 0 999 V2000 11.8247 10.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8247 9.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6908 9.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5566 9.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5566 10.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6908 11.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4226 9.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2886 9.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2886 10.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4226 11.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4226 8.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1543 11.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0367 10.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9192 11.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9192 12.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0367 12.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1543 12.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6908 8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1543 9.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8739 11.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6908 12.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8251 12.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8251 13.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9595 14.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6908 14.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7701 12.6863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4802 12.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3422 9.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4051 8.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0048 10.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2025 11.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6291 11.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9079 10.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6421 9.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 9.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 10.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2366 11.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5365 11.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6494 7.3377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5830 6.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9933 8.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8062 9.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0956 9.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3546 8.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3241 7.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0292 8.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7702 9.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4753 10.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6493 7.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8035 5.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9508 3.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7941 5.6591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2199 6.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2230 6.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8003 5.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3740 4.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3708 4.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9446 3.9377 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 8 19 1 0 0 0 0 1 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 15 26 1 0 0 0 0 26 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 33 20 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 1 0 0 44 39 1 1 0 0 45 40 1 1 0 0 46 41 1 6 0 0 43 19 1 6 0 0 57 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 1 0 0 54 49 1 1 0 0 55 50 1 1 0 0 56 51 1 6 0 0 53 39 1 6 0 0 M END > LMPK12112015 > Epimedin C > > C39H50O19 > 822.29 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > ULZLIYVOYYQJRO-JIYCBSMMSA-N > InChI=1S/C39H50O19/c1-14(2)6-11-19-21(54-38-32(50)29(47)26(44)22(13-40)55-38)12-20(41)23-27(45)35(33(56-34(19)23)17-7-9-18(51-5)10-8-17)57-39-36(30(48)25(43)16(4)53-39)58-37-31(49)28(46)24(42)15(3)52-37/h6-10,12,15-16,22,24-26,28-32,36-44,46-50H,11,13H2,1-5H3/t15-,16-,22+,24-,25-,26+,28+,29-,30+,31+,32+,36+,37-,38+,39-/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C(C/C=C(\C)/C)C2OC(C3C=CC(OC)=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](C)O3)C(=O)C=2C(O)=C1 > - > - > 188298 > - > - > - > 5748394 > - > - > - > - > - > 33090; 63350 > 16337210 $$$$