LMPK12112013 LIPID_MAPS_STRUCTURE_DATABASE 59 64 0 0 0 999 V2000 11.9095 10.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9095 9.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7818 9.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6538 9.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6538 10.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7818 11.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5261 9.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3983 9.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3983 10.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5261 11.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5261 8.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2702 11.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1589 10.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0477 11.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0477 12.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1589 12.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2702 12.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7818 8.3092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2702 9.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9519 11.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7818 12.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9099 12.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9099 13.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0381 14.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7818 14.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9047 12.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6199 12.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4164 9.1944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4654 8.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0550 10.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2685 11.6016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6767 11.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9790 10.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7113 9.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7330 9.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0280 10.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2957 11.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5906 12.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0957 7.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1042 7.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2558 8.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8265 10.0710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2456 9.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6715 8.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6784 8.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2540 9.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8282 9.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4039 10.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9286 5.6863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7689 4.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7810 4.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5193 6.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5237 5.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5182 6.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9347 5.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3523 4.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3584 5.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9420 5.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9480 6.0653 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 53 59 1 0 0 0 58 52 1 0 0 0 52 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 0 0 0 58 59 1 1 0 0 54 39 1 1 0 0 55 49 1 6 0 0 56 50 1 1 0 0 57 51 1 6 0 0 M END > LMPK12112013 > Epimedin A > > C39H50O20 > 838.29 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > SVXJDTNFJXKATR-BTXBWYRTSA-N > InChI=1S/C39H50O20/c1-14(2)5-10-18-20(54-37-31(50)28(47)25(44)21(12-40)55-37)11-19(42)23-27(46)35(33(57-34(18)23)16-6-8-17(52-4)9-7-16)58-39-36(30(49)24(43)15(3)53-39)59-38-32(51)29(48)26(45)22(13-41)56-38/h5-9,11,15,21-22,24-26,28-32,36-45,47-51H,10,12-13H2,1-4H3/t15-,21+,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](CO)O4)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 13916051 > - > - > - > - > - > 33090; 63350 > 16337210 $$$$