LMPK12111718 LIPID_MAPS_STRUCTURE_DATABASE 56 61 0 0 0 0 0 0 0 0999 V2000 11.1613 10.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1613 9.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0653 9.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9696 9.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9696 10.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0653 11.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8734 9.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7776 9.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7776 10.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8734 11.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9042 8.2567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6813 11.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6027 10.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5243 11.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5243 12.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6027 12.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6813 12.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2574 11.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4456 12.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7643 9.1472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0653 8.1947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0653 12.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1615 12.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1615 13.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0653 14.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2578 14.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7485 9.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8946 8.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5543 10.3593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6577 11.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1947 11.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3328 11.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0785 10.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1488 9.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4790 10.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7333 11.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0632 12.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3200 8.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1530 6.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4198 5.3431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7992 7.7966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6688 8.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4534 7.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3684 6.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5019 6.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7173 6.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8507 6.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9199 9.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6504 8.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8011 6.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2852 6.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2069 7.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9952 8.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8622 7.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9374 6.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1490 6.3382 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 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 31 37 1 0 0 0 36 30 1 0 0 0 30 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 0 0 0 36 37 1 1 0 0 32 18 1 1 0 0 33 27 1 6 0 0 34 28 1 1 0 0 35 29 1 6 0 0 46 41 1 0 0 0 41 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 6 0 0 43 38 1 6 0 0 44 39 1 6 0 0 45 40 1 1 0 0 42 20 1 1 0 0 56 51 1 0 0 0 51 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 53 48 1 6 0 0 54 49 1 1 0 0 55 50 1 6 0 0 52 38 1 1 0 0 M END > LMPK12111718 > Epimedoside E > 3-[2-O-beta-D-Xylopyranosyl-6-deoxy-alpha-L-mannopyranosyloxy]-7-(beta-D-glucopyranosyloxy)-8-(3-methyl-2-butenyl)-4',5-dihydroxyflavone > C37H46O19 > 794.26 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > XDBZJWHRPCMWOO-OTLRVVQISA-N > InChI=1S/C37H46O19/c1-13(2)4-9-17-20(52-36-30(49)27(46)25(44)21(11-38)53-36)10-18(40)22-26(45)33(31(54-32(17)22)15-5-7-16(39)8-6-15)55-37-34(28(47)23(42)14(3)51-37)56-35-29(48)24(43)19(41)12-50-35/h4-8,10,14,19,21,23-25,27-30,34-44,46-49H,9,11-12H2,1-3H3/t14-,19+,21+,23-,24-,25+,27-,28+,29+,30+,34+,35-,36+,37-/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(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 14187153 > - > - > - > - > - > 33090; 253601 > - $$$$